2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide

C16H22ClFN2O — CID 65230216

IUPAC2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
SMILESCCCC(CN)C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-4-11(9-19)16(21)20(12-7-8-12)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12H,2,4,7-10,19H2,1H3
InChIKeyAKUVXNPTIREBJR-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.35
Rot. Bonds7

About 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide

2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide (PubChem CID 65230216) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
PubChem CID65230216
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
SMILESCCCC(CN)C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-4-11(9-19)16(21)20(12-7-8-12)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12H,2,4,7-10,19H2,1H3
InChIKeyAKUVXNPTIREBJR-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 65229679
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633
(2S)-2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 126445534
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 125445097

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide (CID 65230216) is 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide is CCCC(CN)C(=O)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
The InChIKey is AKUVXNPTIREBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-2-4-11(9-19)16(21)20(12-7-8-12)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12H,2,4,7-10,19H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide has a molecular weight of 312.82 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide is sourced from PubChem (CID 65230216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).