N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

C17H15ClN2O — CID 2832952

IUPACN-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1cccc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-14-8-4-5-12(9-14)11-19-20-17(21)16-10-15(16)13-6-2-1-3-7-13/h1-9,11,15-16H,10H2,(H,20,21)
InChIKeySOMANLOUSXJWNX-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.59
Rot. Bonds4

About N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 2832952) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID2832952
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1cccc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-14-8-4-5-12(9-14)11-19-20-17(21)16-10-15(16)13-6-2-1-3-7-13/h1-9,11,15-16H,10H2,(H,20,21)
InChIKeySOMANLOUSXJWNX-UHFFFAOYSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5394841
2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 16719201
N-[(3-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2828223
cis-(1S,2R)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7452524
N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6736120
trans-(1R,2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6552897
cis-(1R,2S)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975061
cis-(1R,2S)-N-[(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129440063
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
trans-(1R,2R)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5392525
cis-(1S,2R)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40573329
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135472421

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 2832952) is N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is O=C(NN=Cc1cccc(Cl)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SOMANLOUSXJWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-8-4-5-12(9-14)11-19-20-17(21)16-10-15(16)13-6-2-1-3-7-13/h1-9,11,15-16H,10H2,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2832952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).