N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide

C23H21ClN2O3 — CID 2289371

IUPACN-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-2-13-29-21-8-4-6-17(15-21)23(28)26-20-11-9-19(10-12-20)25-22(27)16-5-3-7-18(24)14-16/h3-12,14-15H,2,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyWULBFRAITMZCSF-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.63
Rot. Bonds7

About N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide

N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide (PubChem CID 2289371) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
PubChem CID2289371
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-2-13-29-21-8-4-6-17(15-21)23(28)26-20-11-9-19(10-12-20)25-22(27)16-5-3-7-18(24)14-16/h3-12,14-15H,2,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyWULBFRAITMZCSF-UHFFFAOYSA-N
XLogP5.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4629276
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide (CID 2289371) is N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1.
What is the InChIKey of N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide?
The InChIKey is WULBFRAITMZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-2-13-29-21-8-4-6-17(15-21)23(28)26-20-11-9-19(10-12-20)25-22(27)16-5-3-7-18(24)14-16/h3-12,14-15H,2,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide?
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide has a molecular weight of 408.89 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide is sourced from PubChem (CID 2289371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).