N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide

C12H14ClNO — CID 114299958

IUPACN-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C12H14ClNO/c1-8-6-11(8)12(15)14-10-4-2-9(7-13)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,14,15)
InChIKeyGMJFOIRCHDRROE-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.02
Rot. Bonds3

About N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 114299958) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID114299958
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C12H14ClNO/c1-8-6-11(8)12(15)14-10-4-2-9(7-13)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,14,15)
InChIKeyGMJFOIRCHDRROE-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.02
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

N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 47146193
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450621
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 47980702

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 114299958) is N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(CCl)cc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is GMJFOIRCHDRROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-6-11(8)12(15)14-10-4-2-9(7-13)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,14,15).
What are the key properties of N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 223.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 114299958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).