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

C12H17ClN2O2 — CID 107621685

IUPAC4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
SMILESCOc1cc(NC(=O)CCC(C)N)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(14)3-6-12(16)15-9-4-5-10(13)11(7-9)17-2/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyGNHHFZLXDDQQTP-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.41
Rot. Bonds5

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

4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide (PubChem CID 107621685) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
PubChem CID107621685
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
SMILESCOc1cc(NC(=O)CCC(C)N)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(14)3-6-12(16)15-9-4-5-10(13)11(7-9)17-2/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyGNHHFZLXDDQQTP-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
(2S)-2-amino-N-(4-chloro-3-methoxyphenyl)-4-methylsulfanylbutanamide
CID 107621717
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide?
The IUPAC name of 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide (CID 107621685) is 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide is COc1cc(NC(=O)CCC(C)N)ccc1Cl.
What is the InChIKey of 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide?
The InChIKey is GNHHFZLXDDQQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(14)3-6-12(16)15-9-4-5-10(13)11(7-9)17-2/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide?
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide has a molecular weight of 256.73 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide is sourced from PubChem (CID 107621685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).