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
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NCC(=O)NC3=C(C(=C(C=C3)F)F)F
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
MW404.80 g/mol
LogP4.80
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 404.80 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 Weight404.80 g/mol
Exact Mass404.09
IUPAC Name2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NCC(=O)NC3=C(C(=C(C=C3)F)F)F
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
XLogP4.80
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity498

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3-methylphenylamino)-N-hydroxyhexanamide
CID 54582965
(R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxyhexanamide
CID 52949570
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
2-(benzhydrylamino)-N-(2,6-difluorophenyl)acetamide
CID 2460537
N-(3-chloro-4-fluoro-phenyl)-2-[1-cyclopentyl-4-(3''-trifluoromethyl-biphenyl-4-yl)-piperidin-4-ylamino]-acetamide
CID 10129026
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10152629
2-(4-biphenyl-4-yl-1-cyclopentyl-piperidin-4-ylamino)-N-(3-chloro-4-fluoro-phenyl)-acetamide
CID 10174522
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10196214
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10239448
N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(2-chlorophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide
CID 10239639
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3,5-dichlorophenyl)phenyl]piperidin-4-yl]amino]acetamide
CID 10239930

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 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NCC(=O)NC3=C(C(=C(C=C3)F)F)F.
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 404.80 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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).