4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide

C17H28ClN3O2 — CID 10617240

IUPAC4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
SMILESCCC(CC)(CCNC(=O)c1cc(Cl)c(N)cc1OC)N(C)C
InChIInChI=1S/C17H28ClN3O2/c1-6-17(7-2,21(3)4)8-9-20-16(22)12-10-13(18)14(19)11-15(12)23-5/h10-11H,6-9,19H2,1-5H3,(H,20,22)
InChIKeyRFLDYWOAJAVGDP-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.17
Rot. Bonds8

About 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide

4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide (PubChem CID 10617240) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
PubChem CID10617240
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
SMILESCCC(CC)(CCNC(=O)c1cc(Cl)c(N)cc1OC)N(C)C
InChIInChI=1S/C17H28ClN3O2/c1-6-17(7-2,21(3)4)8-9-20-16(22)12-10-13(18)14(19)11-15(12)23-5/h10-11H,6-9,19H2,1-5H3,(H,20,22)
InChIKeyRFLDYWOAJAVGDP-UHFFFAOYSA-N
XLogP3.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
CID 12861895
4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
CID 10689599
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide (CID 10617240) is 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide is CCC(CC)(CCNC(=O)c1cc(Cl)c(N)cc1OC)N(C)C.
What is the InChIKey of 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide?
The InChIKey is RFLDYWOAJAVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O2/c1-6-17(7-2,21(3)4)8-9-20-16(22)12-10-13(18)14(19)11-15(12)23-5/h10-11H,6-9,19H2,1-5H3,(H,20,22).
What are the key properties of 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide has a molecular weight of 341.88 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide is sourced from PubChem (CID 10617240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).