N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide

C18H19Cl2N3O2 — CID 60544636

IUPACN-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide
SMILESO=C(CCCNC(=O)NCc1ccccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c19-14-7-9-15(10-8-14)23-17(24)6-3-11-21-18(25)22-12-13-4-1-2-5-16(13)20/h1-2,4-5,7-10H,3,6,11-12H2,(H,23,24)(H2,21,22,25)
InChIKeyOJGHEJPQSIQYOB-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.21
Rot. Bonds7

About N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide

N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide (PubChem CID 60544636) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide
PubChem CID60544636
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide
SMILESO=C(CCCNC(=O)NCc1ccccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c19-14-7-9-15(10-8-14)23-17(24)6-3-11-21-18(25)22-12-13-4-1-2-5-16(13)20/h1-2,4-5,7-10H,3,6,11-12H2,(H,23,24)(H2,21,22,25)
InChIKeyOJGHEJPQSIQYOB-UHFFFAOYSA-N
XLogP4.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
N-(4-chlorophenyl)-4-[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111216177
N-(4-chlorophenyl)-4-[[(2S)-2-methylsulfonylpropanoyl]amino]butanamide
CID 94825681
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
CID 166835235
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
CID 119738705
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide (CID 60544636) is N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide is O=C(CCCNC(=O)NCc1ccccc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide?
The InChIKey is OJGHEJPQSIQYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c19-14-7-9-15(10-8-14)23-17(24)6-3-11-21-18(25)22-12-13-4-1-2-5-16(13)20/h1-2,4-5,7-10H,3,6,11-12H2,(H,23,24)(H2,21,22,25).
What are the key properties of N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide?
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide has a molecular weight of 380.28 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide is sourced from PubChem (CID 60544636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).