1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide

C16H20F2N2O — CID 115448025

IUPAC1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)N(Cc2ccc(F)cc2F)C2CC2)CCC1
InChIInChI=1S/C16H20F2N2O/c17-12-3-2-11(14(18)8-12)9-20(13-4-5-13)15(21)16(10-19)6-1-7-16/h2-3,8,13H,1,4-7,9-10,19H2
InChIKeyXFJMTYYFADLIQV-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.58
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115448025) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115448025
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)N(Cc2ccc(F)cc2F)C2CC2)CCC1
InChIInChI=1S/C16H20F2N2O/c17-12-3-2-11(14(18)8-12)9-20(13-4-5-13)15(21)16(10-19)6-1-7-16/h2-3,8,13H,1,4-7,9-10,19H2
InChIKeyXFJMTYYFADLIQV-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 103795055
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide
CID 104913311
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79286156
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide (CID 115448025) is 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide is NCC1(C(=O)N(Cc2ccc(F)cc2F)C2CC2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is XFJMTYYFADLIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-12-3-2-11(14(18)8-12)9-20(13-4-5-13)15(21)16(10-19)6-1-7-16/h2-3,8,13H,1,4-7,9-10,19H2.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115448025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).