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

C12H15ClF2N2O2 — CID 107569326

IUPAC(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O2/c1-2-3-9(16)11(18)17-7-4-5-10(8(13)6-7)19-12(14)15/h4-6,9,12H,2-3,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyRQVGTCZLARSBSU-VIFPVBQESA-N
MW292.71 g/mol
LogP3.01
Rot. Bonds6

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

(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide (PubChem CID 107569326) has the molecular formula C12H15ClF2N2O2 and a molecular weight of 292.71 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
PubChem CID107569326
Molecular FormulaC12H15ClF2N2O2
Molecular Weight292.71 g/mol
Exact Mass292.08
IUPAC Name(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O2/c1-2-3-9(16)11(18)17-7-4-5-10(8(13)6-7)19-12(14)15/h4-6,9,12H,2-3,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyRQVGTCZLARSBSU-VIFPVBQESA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 79806067
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide (CID 107569326) is (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
The InChIKey is RQVGTCZLARSBSU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClF2N2O2/c1-2-3-9(16)11(18)17-7-4-5-10(8(13)6-7)19-12(14)15/h4-6,9,12H,2-3,16H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide?
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide has a molecular weight of 292.71 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 107569326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).