2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide

C24H23Cl2N3O3 — CID 4016597

IUPAC2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide
SMILESCC(C)C(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-15(2)22(29-24(31)28-20-10-6-9-19(25)21(20)26)23(30)27-16-11-13-18(14-12-16)32-17-7-4-3-5-8-17/h3-15,22H,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyOSWYHRBOKZVUPM-UHFFFAOYSA-N
MW472.37 g/mol
LogP6.57
Rot. Bonds7

About 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide

2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide (PubChem CID 4016597) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide
PubChem CID4016597
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide
SMILESCC(C)C(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-15(2)22(29-24(31)28-20-10-6-9-19(25)21(20)26)23(30)27-16-11-13-18(14-12-16)32-17-7-4-3-5-8-17/h3-15,22H,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyOSWYHRBOKZVUPM-UHFFFAOYSA-N
XLogP6.57
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 3546923
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3702816
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 46643344
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]decanamide
CID 42703808
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoic acid
CID 4517788
2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
CID 45076837
N-[(2S)-1-[4-(2-chlorophenoxy)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24533663

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide (CID 4016597) is 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide is CC(C)C(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide?
The InChIKey is OSWYHRBOKZVUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-15(2)22(29-24(31)28-20-10-6-9-19(25)21(20)26)23(30)27-16-11-13-18(14-12-16)32-17-7-4-3-5-8-17/h3-15,22H,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide?
2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide has a molecular weight of 472.37 g/mol, XLogP of 6.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 4016597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).