2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide

C11H12F2N2O — CID 82237556

IUPAC2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O/c12-7-2-1-6(9(13)3-7)5-15-11(16)8-4-10(8)14/h1-3,8,10H,4-5,14H2,(H,15,16)
InChIKeyHAYZIHNFBFEKER-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.93
Rot. Bonds3

About 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide

2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 82237556) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID82237556
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O/c12-7-2-1-6(9(13)3-7)5-15-11(16)8-4-10(8)14/h1-3,8,10H,4-5,14H2,(H,15,16)
InChIKeyHAYZIHNFBFEKER-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823086
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
(2S,5R)-5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786007
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165431
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112735331
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide (CID 82237556) is 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide is NC1CC1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is HAYZIHNFBFEKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-7-2-1-6(9(13)3-7)5-15-11(16)8-4-10(8)14/h1-3,8,10H,4-5,14H2,(H,15,16).
What are the key properties of 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 82237556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).