4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide

C18H21ClN4O4 — CID 119799098

IUPAC4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21ClN4O4/c1-11-4-5-15(16(8-11)23(25)26)21-6-3-7-22-18(24)12-9-13(19)14(20)10-17(12)27-2/h4-5,8-10,21H,3,6-7,20H2,1-2H3,(H,22,24)
InChIKeyNGKDPARDDUEBJO-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.38
Rot. Bonds8

About 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide

4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide (PubChem CID 119799098) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide
PubChem CID119799098
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC Name4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21ClN4O4/c1-11-4-5-15(16(8-11)23(25)26)21-6-3-7-22-18(24)12-9-13(19)14(20)10-17(12)27-2/h4-5,8-10,21H,3,6-7,20H2,1-2H3,(H,22,24)
InChIKeyNGKDPARDDUEBJO-UHFFFAOYSA-N
XLogP3.38
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
2,4,5-trimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278201
N-[3-(4-chloro-2-nitroanilino)propyl]-2-methylbenzamide
CID 2952575
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride
CID 119332475
(2S)-2-amino-4-methyl-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride
CID 119799103
4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
CID 119811646
N'-(4-methyl-2-nitrophenyl)butane-1,4-diamine
CID 60893804
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]-2-phenylacetamide;hydrochloride
CID 119332473
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide (CID 119799098) is 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide?
The InChIKey is NGKDPARDDUEBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c1-11-4-5-15(16(8-11)23(25)26)21-6-3-7-22-18(24)12-9-13(19)14(20)10-17(12)27-2/h4-5,8-10,21H,3,6-7,20H2,1-2H3,(H,22,24).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide has a molecular weight of 392.84 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[3-(4-methyl-2-nitroanilino)propyl]benzamide is sourced from PubChem (CID 119799098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).