N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide

C24H22ClNO3 — CID 4512457

IUPACN-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1
InChIInChI=1S/C24H22ClNO3/c1-16(2)15-29-20-10-6-9-18(13-20)24(28)26-22-12-11-19(25)14-21(22)23(27)17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyFWCAZQFWQKNVHS-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.86
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide

N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide (PubChem CID 4512457) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
PubChem CID4512457
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1
InChIInChI=1S/C24H22ClNO3/c1-16(2)15-29-20-10-6-9-18(13-20)24(28)26-22-12-11-19(25)14-21(22)23(27)17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyFWCAZQFWQKNVHS-UHFFFAOYSA-N
XLogP5.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(2-methylpropoxy)benzamide
CID 23906666
5-chloro-2-[3-(2-methylpropoxy)benzoyl]oxybenzoic acid
CID 54855211
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide (CID 4512457) is N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is FWCAZQFWQKNVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-16(2)15-29-20-10-6-9-18(13-20)24(28)26-22-12-11-19(25)14-21(22)23(27)17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3,(H,26,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide?
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 407.90 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4512457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).