N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide

C23H20ClFN2O3 — CID 134800977

IUPACN-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClFN2O3/c1-30-21-9-8-19(25)14-20(21)15-4-2-5-16(12-15)22(28)26-10-11-27-23(29)17-6-3-7-18(24)13-17/h2-9,12-14H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyOAFKCIBBQMTBJR-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.31
Rot. Bonds7

About N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide

N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide (PubChem CID 134800977) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
PubChem CID134800977
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC NameN-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClFN2O3/c1-30-21-9-8-19(25)14-20(21)15-4-2-5-16(12-15)22(28)26-10-11-27-23(29)17-6-3-7-18(24)13-17/h2-9,12-14H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyOAFKCIBBQMTBJR-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-fluoro-2-methoxyphenyl)benzamide
CID 56709113
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
The IUPAC name of N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide (CID 134800977) is N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide is COc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
The InChIKey is OAFKCIBBQMTBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-30-21-9-8-19(25)14-20(21)15-4-2-5-16(12-15)22(28)26-10-11-27-23(29)17-6-3-7-18(24)13-17/h2-9,12-14H,10-11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide has a molecular weight of 426.88 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 134800977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).