1-chloro-N-phenylcyclopropane-1-carboxamide

C10H10ClNO — CID 130016520

IUPAC1-chloro-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1(Cl)CC1
InChIInChI=1S/C10H10ClNO/c11-10(6-7-10)9(13)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKeyABRZLARGAGQHIA-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.40
Rot. Bonds2

About 1-chloro-N-phenylcyclopropane-1-carboxamide

1-chloro-N-phenylcyclopropane-1-carboxamide (PubChem CID 130016520) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-chloro-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-chloro-N-phenylcyclopropane-1-carboxamide
PubChem CID130016520
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name1-chloro-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1(Cl)CC1
InChIInChI=1S/C10H10ClNO/c11-10(6-7-10)9(13)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKeyABRZLARGAGQHIA-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide
CID 167802535
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-formamido-N-phenylcyclopentane-1-carboxamide
CID 15065028
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
4-methyl-N-phenyldithiolane-4-carboxamide
CID 45111447

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-chloro-N-phenylcyclopropane-1-carboxamide (CID 130016520) is 1-chloro-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-chloro-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-chloro-N-phenylcyclopropane-1-carboxamide is O=C(Nc1ccccc1)C1(Cl)CC1.
What is the InChIKey of 1-chloro-N-phenylcyclopropane-1-carboxamide?
The InChIKey is ABRZLARGAGQHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-10(6-7-10)9(13)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13).
What are the key properties of 1-chloro-N-phenylcyclopropane-1-carboxamide?
1-chloro-N-phenylcyclopropane-1-carboxamide has a molecular weight of 195.65 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 130016520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).