N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide

C22H19ClN2O4 — CID 22775702

IUPACN-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O4/c1-28-18-7-4-8-19(29-2)20(18)22(27)25-17-11-9-16(10-12-17)24-21(26)14-5-3-6-15(23)13-14/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyWIAHRTWXPPMTRU-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.86
Rot. Bonds6

About N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide

N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide (PubChem CID 22775702) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
PubChem CID22775702
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC NameN-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O4/c1-28-18-7-4-8-19(29-2)20(18)22(27)25-17-11-9-16(10-12-17)24-21(26)14-5-3-6-15(23)13-14/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyWIAHRTWXPPMTRU-UHFFFAOYSA-N
XLogP4.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
CID 19169303
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593570

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide (CID 22775702) is N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide?
The InChIKey is WIAHRTWXPPMTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-28-18-7-4-8-19(29-2)20(18)22(27)25-17-11-9-16(10-12-17)24-21(26)14-5-3-6-15(23)13-14/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide?
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide has a molecular weight of 410.86 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 22775702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).