2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide

C26H27ClN4O3 — CID 46326591

IUPAC2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
SMILESCOc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3Cl)ccc2N2CCCCC2)c1
InChIInChI=1S/C26H27ClN4O3/c1-34-20-9-7-8-18(16-20)29-26(33)30-23-17-19(12-13-24(23)31-14-5-2-6-15-31)28-25(32)21-10-3-4-11-22(21)27/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyDQUVSCUGVXSDNV-UHFFFAOYSA-N
MW478.98 g/mol
LogP6.24
Rot. Bonds6

About 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide

2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide (PubChem CID 46326591) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
PubChem CID46326591
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
SMILESCOc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3Cl)ccc2N2CCCCC2)c1
InChIInChI=1S/C26H27ClN4O3/c1-34-20-9-7-8-18(16-20)29-26(33)30-23-17-19(12-13-24(23)31-14-5-2-6-15-31)28-25(32)21-10-3-4-11-22(21)27/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyDQUVSCUGVXSDNV-UHFFFAOYSA-N
XLogP6.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[(4-methylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 46326597
2-chloro-N-[3-[(2,4-dimethylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 46326600
2-chloro-N-[3-[(4-fluorophenyl)methylcarbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 50783204
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473
4-fluoro-N-[3-[(4-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326630
N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide
CID 46348858
methyl 2-[[5-[(4-methylbenzoyl)amino]-2-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 46326400
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide (CID 46326591) is 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide is COc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3Cl)ccc2N2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide?
The InChIKey is DQUVSCUGVXSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-34-20-9-7-8-18(16-20)29-26(33)30-23-17-19(12-13-24(23)31-14-5-2-6-15-31)28-25(32)21-10-3-4-11-22(21)27/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,28,32)(H2,29,30,33).
What are the key properties of 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide?
2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide has a molecular weight of 478.98 g/mol, XLogP of 6.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide is sourced from PubChem (CID 46326591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).