5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide

C12H17ClN2O2 — CID 54927664

IUPAC5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
SMILESCOc1ccc(C(N)CCCC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-17-11-6-5-8(7-9(11)13)10(14)3-2-4-12(15)16/h5-7,10H,2-4,14H2,1H3,(H2,15,16)
InChIKeyNFDNXPPGTUSOHF-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.00
Rot. Bonds6

About 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide

5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide (PubChem CID 54927664) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
PubChem CID54927664
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
SMILESCOc1ccc(C(N)CCCC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-17-11-6-5-8(7-9(11)13)10(14)3-2-4-12(15)16/h5-7,10H,2-4,14H2,1H3,(H2,15,16)
InChIKeyNFDNXPPGTUSOHF-UHFFFAOYSA-N
XLogP2.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide 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

ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
CID 54927618
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
methyl 6-amino-6-(3-chloro-4-methoxyphenyl)hexanoate
CID 60860664
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
methyl 5-amino-5-(3-chloro-4-methoxyphenyl)-3-methylpentanoate
CID 62941825

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide?
The IUPAC name of 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide (CID 54927664) is 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide.
What is the SMILES notation for 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide?
The canonical SMILES for 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide is COc1ccc(C(N)CCCC(N)=O)cc1Cl.
What is the InChIKey of 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide?
The InChIKey is NFDNXPPGTUSOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-11-6-5-8(7-9(11)13)10(14)3-2-4-12(15)16/h5-7,10H,2-4,14H2,1H3,(H2,15,16).
What are the key properties of 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide?
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide has a molecular weight of 256.73 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide is sourced from PubChem (CID 54927664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).