6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide

C14H20ClFN2O — CID 65292812

IUPAC6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2O/c1-9(4-3-5-10(2)17)14(19)18-13-8-11(15)6-7-12(13)16/h6-10H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyPKSPWVLAGLJSSV-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.57
Rot. Bonds6

About 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide

6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide (PubChem CID 65292812) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
PubChem CID65292812
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2O/c1-9(4-3-5-10(2)17)14(19)18-13-8-11(15)6-7-12(13)16/h6-10H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyPKSPWVLAGLJSSV-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide
CID 65290555
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683758
2-[(6-amino-2-methylheptanoyl)amino]-5-methylbenzoic acid
CID 65292299
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
CID 44519506
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide
CID 42906469

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide (CID 65292812) is 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide?
The InChIKey is PKSPWVLAGLJSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-9(4-3-5-10(2)17)14(19)18-13-8-11(15)6-7-12(13)16/h6-10H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide?
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide has a molecular weight of 286.78 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide is sourced from PubChem (CID 65292812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).