3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide

C15H16ClN3O2 — CID 61091211

IUPAC3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H16ClN3O2/c1-8-3-13(14(21-2)7-12(8)16)19-15(20)9-4-10(17)6-11(18)5-9/h3-7H,17-18H2,1-2H3,(H,19,20)
InChIKeyDTGKJFFYYUADNB-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.07
Rot. Bonds3

About 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide

3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide (PubChem CID 61091211) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
PubChem CID61091211
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H16ClN3O2/c1-8-3-13(14(21-2)7-12(8)16)19-15(20)9-4-10(17)6-11(18)5-9/h3-7H,17-18H2,1-2H3,(H,19,20)
InChIKeyDTGKJFFYYUADNB-UHFFFAOYSA-N
XLogP3.07
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 62153569
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide (CID 61091211) is 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
The InChIKey is DTGKJFFYYUADNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-8-3-13(14(21-2)7-12(8)16)19-15(20)9-4-10(17)6-11(18)5-9/h3-7H,17-18H2,1-2H3,(H,19,20).
What are the key properties of 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide has a molecular weight of 305.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 61091211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).