3-amino-5-chloro-N-(5-methoxypentyl)benzamide

C13H19ClN2O2 — CID 114129389

IUPAC3-amino-5-chloro-N-(5-methoxypentyl)benzamide
SMILESCOCCCCCNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-18-6-4-2-3-5-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyZZTFDNFZTVAALQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.47
Rot. Bonds7

About 3-amino-5-chloro-N-(5-methoxypentyl)benzamide

3-amino-5-chloro-N-(5-methoxypentyl)benzamide (PubChem CID 114129389) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(5-methoxypentyl)benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(5-methoxypentyl)benzamide
PubChem CID114129389
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-amino-5-chloro-N-(5-methoxypentyl)benzamide
SMILESCOCCCCCNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-18-6-4-2-3-5-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyZZTFDNFZTVAALQ-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
3-amino-5-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326593
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 113449800
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
3-amino-5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 114171675
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167
methyl 3-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylcarbamoyl]benzoate
CID 146312405

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(5-methoxypentyl)benzamide?
The IUPAC name of 3-amino-5-chloro-N-(5-methoxypentyl)benzamide (CID 114129389) is 3-amino-5-chloro-N-(5-methoxypentyl)benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-(5-methoxypentyl)benzamide?
The canonical SMILES for 3-amino-5-chloro-N-(5-methoxypentyl)benzamide is COCCCCCNC(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-N-(5-methoxypentyl)benzamide?
The InChIKey is ZZTFDNFZTVAALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-18-6-4-2-3-5-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-chloro-N-(5-methoxypentyl)benzamide?
3-amino-5-chloro-N-(5-methoxypentyl)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(5-methoxypentyl)benzamide is sourced from PubChem (CID 114129389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).