5-amino-N-carbamoyl-2-methylbenzamide

C9H11N3O2 — CID 130015000

IUPAC5-amino-N-carbamoyl-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(N)=O
InChIInChI=1S/C9H11N3O2/c1-5-2-3-6(10)4-7(5)8(13)12-9(11)14/h2-4H,10H2,1H3,(H3,11,12,13,14)
InChIKeyKVCDHCNDRZPAJX-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.39
Rot. Bonds1

About 5-amino-N-carbamoyl-2-methylbenzamide

5-amino-N-carbamoyl-2-methylbenzamide (PubChem CID 130015000) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-amino-N-carbamoyl-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-carbamoyl-2-methylbenzamide
PubChem CID130015000
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-amino-N-carbamoyl-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(N)=O
InChIInChI=1S/C9H11N3O2/c1-5-2-3-6(10)4-7(5)8(13)12-9(11)14/h2-4H,10H2,1H3,(H3,11,12,13,14)
InChIKeyKVCDHCNDRZPAJX-UHFFFAOYSA-N
XLogP0.39
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-2-methyl-N-methylsulfonylbenzamide
CID 18957755
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide
CID 120629582
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-2-methyl-N-[(3E,5Z)-5-methyl-3-phosphanylhepta-1,3,5-trien-2-yl]benzamide
CID 177145288

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-carbamoyl-2-methylbenzamide?
The IUPAC name of 5-amino-N-carbamoyl-2-methylbenzamide (CID 130015000) is 5-amino-N-carbamoyl-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-carbamoyl-2-methylbenzamide?
The canonical SMILES for 5-amino-N-carbamoyl-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC(N)=O.
What is the InChIKey of 5-amino-N-carbamoyl-2-methylbenzamide?
The InChIKey is KVCDHCNDRZPAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-2-3-6(10)4-7(5)8(13)12-9(11)14/h2-4H,10H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-amino-N-carbamoyl-2-methylbenzamide?
5-amino-N-carbamoyl-2-methylbenzamide has a molecular weight of 193.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-carbamoyl-2-methylbenzamide is sourced from PubChem (CID 130015000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).