N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide

C22H17ClF2N2O4 — CID 55759479

IUPACN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C22H17ClF2N2O4/c1-30-18-11-6-13(12-19(18)31-22(24)25)20(28)27-17-5-3-2-4-16(17)21(29)26-15-9-7-14(23)8-10-15/h2-12,22H,1H3,(H,26,29)(H,27,28)
InChIKeyKWXAVUOOBZXVGK-UHFFFAOYSA-N
MW446.84 g/mol
LogP5.45
Rot. Bonds7

About N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 55759479) has the molecular formula C22H17ClF2N2O4 and a molecular weight of 446.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID55759479
Molecular FormulaC22H17ClF2N2O4
Molecular Weight446.84 g/mol
Exact Mass446.08
IUPAC NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C22H17ClF2N2O4/c1-30-18-11-6-13(12-19(18)31-22(24)25)20(28)27-17-5-3-2-4-16(17)21(29)26-15-9-7-14(23)8-10-15/h2-12,22H,1H3,(H,26,29)(H,27,28)
InChIKeyKWXAVUOOBZXVGK-UHFFFAOYSA-N
XLogP5.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.84
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218194
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55915712
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide (CID 55759479) is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1OC(F)F.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is KWXAVUOOBZXVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O4/c1-30-18-11-6-13(12-19(18)31-22(24)25)20(28)27-17-5-3-2-4-16(17)21(29)26-15-9-7-14(23)8-10-15/h2-12,22H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 446.84 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 55759479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).