5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

C28H29Cl2N5O2 — CID 18727814

IUPAC5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cc(Cl)cc2N(C)C)cc1)N1CCCCC1
InChIInChI=1S/C28H29Cl2N5O2/c1-34(2)24-17-21(30)16-23(28(37)32-22-12-10-20(29)11-13-22)25(24)33-27(36)19-8-6-18(7-9-19)26(31)35-14-4-3-5-15-35/h6-13,16-17,31H,3-5,14-15H2,1-2H3,(H,32,37)(H,33,36)/b31-26-
InChIKeyUAFUPDBKUVTFFG-ZXPTYKNPSA-N
MW538.48 g/mol
LogP6.38
Rot. Bonds6

About 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 18727814) has the molecular formula C28H29Cl2N5O2 and a molecular weight of 538.48 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
PubChem CID18727814
Molecular FormulaC28H29Cl2N5O2
Molecular Weight538.48 g/mol
Exact Mass537.17
IUPAC Name5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cc(Cl)cc2N(C)C)cc1)N1CCCCC1
InChIInChI=1S/C28H29Cl2N5O2/c1-34(2)24-17-21(30)16-23(28(37)32-22-12-10-20(29)11-13-22)25(24)33-27(36)19-8-6-18(7-9-19)26(31)35-14-4-3-5-15-35/h6-13,16-17,31H,3-5,14-15H2,1-2H3,(H,32,37)(H,33,36)/b31-26-
InChIKeyUAFUPDBKUVTFFG-ZXPTYKNPSA-N
XLogP6.38
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.48
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-3-(dimethylamino)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18727864
N-(4-chlorophenyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728034
5-chloro-N-(4-ethynylphenyl)-3-methoxy-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59020874
N-(4-chlorophenyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728023
5-chloro-N-(4-chlorophenyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 158539100
5-chloro-N-(5-chloro-2-pyridinyl)-3-morpholin-4-yl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18727887
2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-5-methoxybenzamide
CID 18727649
5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
CID 147923757
N-(5-bromo-2-pyridinyl)-5-chloro-3-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728074
2-[5-chloro-3-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]phenoxy]acetic acid
CID 18727661
5-fluoro-N-(4-methylphenyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 89063340
4-(azetidine-1-carboximidoyl)-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluorobenzamide;N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
CID 160964311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (CID 18727814) is 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cc(Cl)cc2N(C)C)cc1)N1CCCCC1.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is UAFUPDBKUVTFFG-ZXPTYKNPSA-N. The full InChI is InChI=1S/C28H29Cl2N5O2/c1-34(2)24-17-21(30)16-23(28(37)32-22-12-10-20(29)11-13-22)25(24)33-27(36)19-8-6-18(7-9-19)26(31)35-14-4-3-5-15-35/h6-13,16-17,31H,3-5,14-15H2,1-2H3,(H,32,37)(H,33,36)/b31-26-.
What are the key properties of 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 538.48 g/mol, XLogP of 6.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-3-(dimethylamino)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 18727814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).