N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide

C16H16ClN3O2 — CID 108884075

IUPACN-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN3O2/c1-11(21)19-14-3-2-4-15(9-14)20-16(22)18-10-12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyKDIWWFSBBGEDKR-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.62
Rot. Bonds4

About N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide

N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 108884075) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID108884075
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN3O2/c1-11(21)19-14-3-2-4-15(9-14)20-16(22)18-10-12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyKDIWWFSBBGEDKR-UHFFFAOYSA-N
XLogP3.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
CID 5171614
1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087557
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
CID 151709013
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 2582191
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide (CID 108884075) is N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is KDIWWFSBBGEDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11(21)19-14-3-2-4-15(9-14)20-16(22)18-10-12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide?
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 317.78 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108884075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).