2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C21H16ClF3N2O — CID 4858348

IUPAC2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H16ClF3N2O/c22-15-8-6-14(7-9-15)21(13-4-2-1-3-5-13)26-12-18(28)27-17-11-10-16(23)19(24)20(17)25/h1-11,21,26H,12H2,(H,27,28)
InChIKeyKKTYIEGQBSKNEI-UHFFFAOYSA-N
MW404.82 g/mol
LogP5.07
Rot. Bonds6

About 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4858348) has the molecular formula C21H16ClF3N2O and a molecular weight of 404.82 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4858348
Molecular FormulaC21H16ClF3N2O
Molecular Weight404.82 g/mol
Exact Mass404.09
IUPAC Name2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H16ClF3N2O/c22-15-8-6-14(7-9-15)21(13-4-2-1-3-5-13)26-12-18(28)27-17-11-10-16(23)19(24)20(17)25/h1-11,21,26H,12H2,(H,27,28)
InChIKeyKKTYIEGQBSKNEI-UHFFFAOYSA-N
XLogP5.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.82
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9050475
N-(5-chloro-2-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537256
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-(2,5-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393367
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8769028
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109011156

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 4858348) is 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNC(c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KKTYIEGQBSKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O/c22-15-8-6-14(7-9-15)21(13-4-2-1-3-5-13)26-12-18(28)27-17-11-10-16(23)19(24)20(17)25/h1-11,21,26H,12H2,(H,27,28).
What are the key properties of 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 404.82 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4858348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).