4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide

C12H14ClNO2 — CID 63294334

IUPAC4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
SMILESO=C(NCC(O)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)12(16)14-7-11(15)8-1-2-8/h3-6,8,11,15H,1-2,7H2,(H,14,16)
InChIKeyQYIIQBGCGJHBTO-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.84
Rot. Bonds4

About 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide (PubChem CID 63294334) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
PubChem CID63294334
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
SMILESO=C(NCC(O)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)12(16)14-7-11(15)8-1-2-8/h3-6,8,11,15H,1-2,7H2,(H,14,16)
InChIKeyQYIIQBGCGJHBTO-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopropyl-2-hydroxyethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 63294918
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide (CID 63294334) is 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide is O=C(NCC(O)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The InChIKey is QYIIQBGCGJHBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)12(16)14-7-11(15)8-1-2-8/h3-6,8,11,15H,1-2,7H2,(H,14,16).
What are the key properties of 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide has a molecular weight of 239.70 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide is sourced from PubChem (CID 63294334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).