[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate

C24H26ClNO3 — CID 174698422

IUPAC[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
SMILESO=C(OCc1cccc(NC(=O)C(c2ccc(Cl)cc2)C2CCCC2)c1)C1CC1
InChIInChI=1S/C24H26ClNO3/c25-20-12-10-18(11-13-20)22(17-5-1-2-6-17)23(27)26-21-7-3-4-16(14-21)15-29-24(28)19-8-9-19/h3-4,7,10-14,17,19,22H,1-2,5-6,8-9,15H2,(H,26,27)
InChIKeyKQTIHALDHZPXSA-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.71
Rot. Bonds7

About [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate

[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate (PubChem CID 174698422) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
PubChem CID174698422
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
SMILESO=C(OCc1cccc(NC(=O)C(c2ccc(Cl)cc2)C2CCCC2)c1)C1CC1
InChIInChI=1S/C24H26ClNO3/c25-20-12-10-18(11-13-20)22(17-5-1-2-6-17)23(27)26-21-7-3-4-16(14-21)15-29-24(28)19-8-9-19/h3-4,7,10-14,17,19,22H,1-2,5-6,8-9,15H2,(H,26,27)
InChIKeyKQTIHALDHZPXSA-UHFFFAOYSA-N
XLogP5.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 118091164
carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
CID 68752735
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118091125
carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
CID 118091048
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
1-[[3-[[(2S)-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 57344330
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
3-[[2-[4-[[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]methyl]phenyl]-2-cyclopentylacetyl]amino]benzoic acid
CID 58136730
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide
CID 68751327
(3-ethylphenyl)methyl cyclopropanecarboxylate
CID 137495375
tert-butyl 1-[[3-[[2-cyclopentyl-2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylate
CID 58136355
(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide
CID 67957933

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate?
The IUPAC name of [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate (CID 174698422) is [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate?
The canonical SMILES for [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate is O=C(OCc1cccc(NC(=O)C(c2ccc(Cl)cc2)C2CCCC2)c1)C1CC1.
What is the InChIKey of [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate?
The InChIKey is KQTIHALDHZPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c25-20-12-10-18(11-13-20)22(17-5-1-2-6-17)23(27)26-21-7-3-4-16(14-21)15-29-24(28)19-8-9-19/h3-4,7,10-14,17,19,22H,1-2,5-6,8-9,15H2,(H,26,27).
What are the key properties of [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate?
[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate has a molecular weight of 411.93 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 174698422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).