N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide

C12H12ClNO2 — CID 10868327

IUPACN-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)C1CC1
InChIInChI=1S/C12H12ClNO2/c1-7(15)14-11-5-4-9(13)6-10(11)12(16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,15)
InChIKeyCLCUWIPWNMLPRR-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.89
Rot. Bonds3

About N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide

N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide (PubChem CID 10868327) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
PubChem CID10868327
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC NameN-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)C1CC1
InChIInChI=1S/C12H12ClNO2/c1-7(15)14-11-5-4-9(13)6-10(11)12(16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,15)
InChIKeyCLCUWIPWNMLPRR-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexanecarbonyl)-4-hydroxyphenyl]acetamide
CID 67874762
N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 114975097
1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
CID 87230265
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
2-acetamido-5-chloro-N-hydroxybenzeneamine oxide
CID 163181848

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide (CID 10868327) is N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1C(=O)C1CC1.
What is the InChIKey of N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide?
The InChIKey is CLCUWIPWNMLPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7(15)14-11-5-4-9(13)6-10(11)12(16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,15).
What are the key properties of N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide?
N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide has a molecular weight of 237.69 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide is sourced from PubChem (CID 10868327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).