1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide

C11H12F2N2O — CID 65465374

IUPAC1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C11H12F2N2O/c12-8-2-1-7(5-9(8)13)6-15-10(16)11(14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16)
InChIKeyWFRCKDBIODIJCX-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.07
Rot. Bonds3

About 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide

1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 65465374) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID65465374
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C11H12F2N2O/c12-8-2-1-7(5-9(8)13)6-15-10(16)11(14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16)
InChIKeyWFRCKDBIODIJCX-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide
CID 81169710
ethyl 3-[(3,4-difluorophenyl)methylamino]-3-oxopropanoate
CID 110474199
N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025917
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
3-[(3,4-difluorophenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66167613
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide (CID 65465374) is 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is WFRCKDBIODIJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-2-1-7(5-9(8)13)6-15-10(16)11(14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16).
What are the key properties of 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65465374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).