2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide

C13H17ClF2N2O2 — CID 65229433

IUPAC2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF2N2O2/c1-2-3-8(7-17)12(19)18-9-4-5-11(10(14)6-9)20-13(15)16/h4-6,8,13H,2-3,7,17H2,1H3,(H,18,19)
InChIKeyZAYQBOCWXWOCIU-UHFFFAOYSA-N
MW306.74 g/mol
LogP3.25
Rot. Bonds7

About 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide

2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide (PubChem CID 65229433) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
PubChem CID65229433
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC Name2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF2N2O2/c1-2-3-8(7-17)12(19)18-9-4-5-11(10(14)6-9)20-13(15)16/h4-6,8,13H,2-3,7,17H2,1H3,(H,18,19)
InChIKeyZAYQBOCWXWOCIU-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 79806067
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine
CID 103387363
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
ethyl (2R)-2-[2-chloro-4-[(2,2-dichloroacetyl)amino]phenoxy]propanoate
CID 6976953

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide (CID 65229433) is 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide is CCCC(CN)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
The InChIKey is ZAYQBOCWXWOCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2N2O2/c1-2-3-8(7-17)12(19)18-9-4-5-11(10(14)6-9)20-13(15)16/h4-6,8,13H,2-3,7,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide has a molecular weight of 306.74 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 65229433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).