2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide

C22H18Cl2N2O4 — CID 4077998

IUPAC2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
SMILESCOc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)c1
InChIInChI=1S/C22H18Cl2N2O4/c1-29-16-8-9-19(24)17(12-16)21(27)25-14-4-6-15(7-5-14)26-22(28)18-11-13(23)3-10-20(18)30-2/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyGIDCJRCNBJEAQP-UHFFFAOYSA-N
MW445.30 g/mol
LogP5.52
Rot. Bonds6

About 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide

2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide (PubChem CID 4077998) has the molecular formula C22H18Cl2N2O4 and a molecular weight of 445.30 g/mol. Its IUPAC name is 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
PubChem CID4077998
Molecular FormulaC22H18Cl2N2O4
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC Name2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
SMILESCOc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)c1
InChIInChI=1S/C22H18Cl2N2O4/c1-29-16-8-9-19(24)17(12-16)21(27)25-14-4-6-15(7-5-14)26-22(28)18-11-13(23)3-10-20(18)30-2/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyGIDCJRCNBJEAQP-UHFFFAOYSA-N
XLogP5.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.30
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide?
The IUPAC name of 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide (CID 4077998) is 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide is COc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide?
The InChIKey is GIDCJRCNBJEAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O4/c1-29-16-8-9-19(24)17(12-16)21(27)25-14-4-6-15(7-5-14)26-22(28)18-11-13(23)3-10-20(18)30-2/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide?
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide has a molecular weight of 445.30 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide is sourced from PubChem (CID 4077998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).