N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide

C11H12ClNO — CID 114293194

IUPACN-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(CCl)c1)C1CC1
InChIInChI=1S/C11H12ClNO/c12-7-8-2-1-3-10(6-8)13-11(14)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14)
InChIKeyGSRUBDZVJPJAKN-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.77
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide

N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 114293194) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
PubChem CID114293194
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(CCl)c1)C1CC1
InChIInChI=1S/C11H12ClNO/c12-7-8-2-1-3-10(6-8)13-11(14)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14)
InChIKeyGSRUBDZVJPJAKN-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.77
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

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CID 114293317
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
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CID 114293301
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
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N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
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N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
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N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
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CID 115339856

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide (CID 114293194) is N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(CCl)c1)C1CC1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is GSRUBDZVJPJAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-7-8-2-1-3-10(6-8)13-11(14)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14).
What are the key properties of N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide?
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 209.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 114293194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).