N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide

C25H24ClN3O4 — CID 2421246

IUPACN-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O4/c1-33-22-9-5-4-8-21(22)29-25(32)19-6-2-3-7-20(19)28-24(31)15-14-23(30)27-16-17-10-12-18(26)13-11-17/h2-13H,14-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyLCNNGDPCWGBVIP-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.64
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide

N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide (PubChem CID 2421246) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide
PubChem CID2421246
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O4/c1-33-22-9-5-4-8-21(22)29-25(32)19-6-2-3-7-20(19)28-24(31)15-14-23(30)27-16-17-10-12-18(26)13-11-17/h2-13H,14-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyLCNNGDPCWGBVIP-UHFFFAOYSA-N
XLogP4.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851954
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
CID 113139525
N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334
ethyl 2-[[3-[(4-chlorophenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946830
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
methyl 4-[(4-chlorophenyl)methylamino]-4-oxobutanoate
CID 94691458
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide (CID 2421246) is N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide is COc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide?
The InChIKey is LCNNGDPCWGBVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-33-22-9-5-4-8-21(22)29-25(32)19-6-2-3-7-20(19)28-24(31)15-14-23(30)27-16-17-10-12-18(26)13-11-17/h2-13H,14-16H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide?
N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide has a molecular weight of 465.94 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide is sourced from PubChem (CID 2421246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).