N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide

C16H14Cl2N2O — CID 112989688

IUPACN-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2Cl)cc1)C1CC1
InChIInChI=1S/C16H14Cl2N2O/c17-13-2-1-3-14(15(13)18)19-11-6-8-12(9-7-11)20-16(21)10-4-5-10/h1-3,6-10,19H,4-5H2,(H,20,21)
InChIKeyLFJYHHCMXRWWKC-UHFFFAOYSA-N
MW321.21 g/mol
LogP5.09
Rot. Bonds4

About N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide

N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide (PubChem CID 112989688) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
PubChem CID112989688
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC NameN-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2Cl)cc1)C1CC1
InChIInChI=1S/C16H14Cl2N2O/c17-13-2-1-3-14(15(13)18)19-11-6-8-12(9-7-11)20-16(21)10-4-5-10/h1-3,6-10,19H,4-5H2,(H,20,21)
InChIKeyLFJYHHCMXRWWKC-UHFFFAOYSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.21
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
CID 112989692
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
CID 112986454
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide (CID 112989688) is N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2cccc(Cl)c2Cl)cc1)C1CC1.
What is the InChIKey of N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide?
The InChIKey is LFJYHHCMXRWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-2-1-3-14(15(13)18)19-11-6-8-12(9-7-11)20-16(21)10-4-5-10/h1-3,6-10,19H,4-5H2,(H,20,21).
What are the key properties of N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide?
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide has a molecular weight of 321.21 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112989688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).