4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide

C19H24ClN3O2 — CID 12861895

IUPAC4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1C
InChIInChI=1S/C19H24ClN3O2/c1-13-6-4-5-7-14(13)12-23(2)9-8-22-19(24)15-10-16(20)17(21)11-18(15)25-3/h4-7,10-11H,8-9,12,21H2,1-3H3,(H,22,24)
InChIKeyKBCRMXSUCDJIGK-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.10
Rot. Bonds7

About 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide

4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide (PubChem CID 12861895) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
PubChem CID12861895
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1C
InChIInChI=1S/C19H24ClN3O2/c1-13-6-4-5-7-14(13)12-23(2)9-8-22-19(24)15-10-16(20)17(21)11-18(15)25-3/h4-7,10-11H,8-9,12,21H2,1-3H3,(H,22,24)
InChIKeyKBCRMXSUCDJIGK-UHFFFAOYSA-N
XLogP3.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.10
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

4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 119734954
4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
CID 54543853
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 9343351
4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide
CID 12861899
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
CID 119895304
4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
CID 119805474

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide (CID 12861895) is 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1C.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide?
The InChIKey is KBCRMXSUCDJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-13-6-4-5-7-14(13)12-23(2)9-8-22-19(24)15-10-16(20)17(21)11-18(15)25-3/h4-7,10-11H,8-9,12,21H2,1-3H3,(H,22,24).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide has a molecular weight of 361.87 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide is sourced from PubChem (CID 12861895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).