4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride

C14H20Cl2N2O — CID 119780555

IUPAC4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
SMILESCC1(CNC(=O)c2ccc(N)cc2Cl)CCCC1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-14(6-2-3-7-14)9-17-13(18)11-5-4-10(16)8-12(11)15;/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18);1H
InChIKeyAGNUZFWUPQIPPK-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.65
Rot. Bonds3

About 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride

4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride (PubChem CID 119780555) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
PubChem CID119780555
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
SMILESCC1(CNC(=O)c2ccc(N)cc2Cl)CCCC1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-14(6-2-3-7-14)9-17-13(18)11-5-4-10(16)8-12(11)15;/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18);1H
InChIKeyAGNUZFWUPQIPPK-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 65103472
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4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride
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5-amino-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzamide
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CID 47000809
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
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5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
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3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride (CID 119780555) is 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride is CC1(CNC(=O)c2ccc(N)cc2Cl)CCCC1.Cl.
What is the InChIKey of 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride?
The InChIKey is AGNUZFWUPQIPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-14(6-2-3-7-14)9-17-13(18)11-5-4-10(16)8-12(11)15;/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride?
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119780555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).