2-amino-N-(3-chloro-4-fluorophenyl)pentanamide

C11H14ClFN2O — CID 43650208

IUPAC2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-3-10(14)11(16)15-7-4-5-9(13)8(12)6-7/h4-6,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyMHLITFLTMDSCBM-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.55
Rot. Bonds4

About 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide

2-amino-N-(3-chloro-4-fluorophenyl)pentanamide (PubChem CID 43650208) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
PubChem CID43650208
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-3-10(14)11(16)15-7-4-5-9(13)8(12)6-7/h4-6,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyMHLITFLTMDSCBM-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119263179
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
CID 92864164
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
ethyl 2-[(3-chloro-4-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537724

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide (CID 43650208) is 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide is CCCC(N)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide?
The InChIKey is MHLITFLTMDSCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-3-10(14)11(16)15-7-4-5-9(13)8(12)6-7/h4-6,10H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide?
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide has a molecular weight of 244.70 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-fluorophenyl)pentanamide is sourced from PubChem (CID 43650208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).