N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide

C16H12ClF3N2O2 — CID 15812180

IUPACN-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(=O)C(F)(F)F)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-12-8-4-7-11(9-12)13(10-5-2-1-3-6-10)21-15(24)22-14(23)16(18,19)20/h1-9,13H,(H2,21,22,23,24)
InChIKeyGVYAKGYKNXOISL-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.82
Rot. Bonds3

About N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide

N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide (PubChem CID 15812180) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide
PubChem CID15812180
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC NameN-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(=O)C(F)(F)F)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-12-8-4-7-11(9-12)13(10-5-2-1-3-6-10)21-15(24)22-14(23)16(18,19)20/h1-9,13H,(H2,21,22,23,24)
InChIKeyGVYAKGYKNXOISL-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N'-chlorocarbamimidoyl)-3-[(3-chlorophenyl)-phenylmethyl]urea
CID 139913480
2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975283
3-(3-chlorophenyl)-2,2,3-trifluoropropanoic acid
CID 54478502
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
N-(benzhydrylcarbamoyl)benzamide
CID 2850647
methyl 5-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]thiophene-2-carboxylate
CID 55804119
N-[(3-chlorophenyl)-phenylmethyl]-2-(2-methoxyphenyl)acetamide
CID 55804403
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
N-benzhydryl-2,2,2-trichloroacetamide
CID 3685786

Frequently Asked Questions

What is the IUPAC name of N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide (CID 15812180) is N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide is O=C(NC(=O)C(F)(F)F)NC(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide?
The InChIKey is GVYAKGYKNXOISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-12-8-4-7-11(9-12)13(10-5-2-1-3-6-10)21-15(24)22-14(23)16(18,19)20/h1-9,13H,(H2,21,22,23,24).
What are the key properties of N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide?
N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide has a molecular weight of 356.73 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15812180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).