N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide

C19H19ClN2O3 — CID 52531252

IUPACN-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
SMILESO=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C19H19ClN2O3/c20-17-4-2-1-3-14(17)15-11-16(15)19(25)22-10-9-21-18(24)12-5-7-13(23)8-6-12/h1-8,15-16,23H,9-11H2,(H,21,24)(H,22,25)/t15-,16+/m1/s1
InChIKeyXHXVHXJGMVHXFX-CVEARBPZSA-N
MW358.83 g/mol
LogP2.70
Rot. Bonds6

About N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide

N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide (PubChem CID 52531252) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
PubChem CID52531252
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
SMILESO=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C19H19ClN2O3/c20-17-4-2-1-3-14(17)15-11-16(15)19(25)22-10-9-21-18(24)12-5-7-13(23)8-6-12/h1-8,15-16,23H,9-11H2,(H,21,24)(H,22,25)/t15-,16+/m1/s1
InChIKeyXHXVHXJGMVHXFX-CVEARBPZSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575
2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide
CID 55723456
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 55588147
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805
N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide
CID 55898897
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 55919373
2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
CID 55751317
2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
CID 55474580

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide (CID 52531252) is N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide is O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc(O)cc1.
What is the InChIKey of N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide?
The InChIKey is XHXVHXJGMVHXFX-CVEARBPZSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-17-4-2-1-3-14(17)15-11-16(15)19(25)22-10-9-21-18(24)12-5-7-13(23)8-6-12/h1-8,15-16,23H,9-11H2,(H,21,24)(H,22,25)/t15-,16+/m1/s1.
What are the key properties of N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide?
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide has a molecular weight of 358.83 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 52531252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).