1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide

C13H16ClNO2 — CID 110438440

IUPAC1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
SMILESCC(O)CNC(=O)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C13H16ClNO2/c1-9(16)8-15-12(17)13(6-7-13)10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H,15,17)
InChIKeyZYPRMCVHRXJHKF-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide (PubChem CID 110438440) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
PubChem CID110438440
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
SMILESCC(O)CNC(=O)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C13H16ClNO2/c1-9(16)8-15-12(17)13(6-7-13)10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H,15,17)
InChIKeyZYPRMCVHRXJHKF-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438414
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 110438432
1-(2-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 110438466
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025
N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119628865
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437987
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 71875039
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 110439821
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide (CID 110438440) is 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide is CC(O)CNC(=O)C1(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
The InChIKey is ZYPRMCVHRXJHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9(16)8-15-12(17)13(6-7-13)10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H,15,17).
What are the key properties of 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).