1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide

C12H13ClN2O2 — CID 167802535

IUPAC1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide
SMILESO=C(CCl)NC1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C12H13ClN2O2/c13-8-10(16)15-12(6-7-12)11(17)14-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16)
InChIKeyORSXWUCGSBGGSB-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.51
Rot. Bonds4

About 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide

1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide (PubChem CID 167802535) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide
PubChem CID167802535
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide
SMILESO=C(CCl)NC1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C12H13ClN2O2/c13-8-10(16)15-12(6-7-12)11(17)14-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16)
InChIKeyORSXWUCGSBGGSB-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520
1-formamido-N-phenylcyclopentane-1-carboxamide
CID 15065028
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
CID 119785778
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
CID 110008759
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide (CID 167802535) is 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide is O=C(CCl)NC1(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide?
The InChIKey is ORSXWUCGSBGGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-8-10(16)15-12(6-7-12)11(17)14-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,17)(H,15,16).
What are the key properties of 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide?
1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 167802535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).