N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide

C22H20ClN3O4 — CID 19187598

IUPACN-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O4/c1-29-19-13-18(26-22(28)24-16-10-6-9-15(23)11-16)20(30-2)12-17(19)25-21(27)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyDDUHKKURHPYXNT-UHFFFAOYSA-N
MW425.87 g/mol
LogP5.25
Rot. Bonds6

About N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide

N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 19187598) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
PubChem CID19187598
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC NameN-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O4/c1-29-19-13-18(26-22(28)24-16-10-6-9-15(23)11-16)20(30-2)12-17(19)25-21(27)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyDDUHKKURHPYXNT-UHFFFAOYSA-N
XLogP5.25
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.87
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
CID 648612
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
CID 2252121
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
3-chloro-N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]benzamide
CID 156773698
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide (CID 19187598) is N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is DDUHKKURHPYXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-29-19-13-18(26-22(28)24-16-10-6-9-15(23)11-16)20(30-2)12-17(19)25-21(27)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 425.87 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 19187598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).