3-[(carbamoylamino)methyl]benzamide

C9H11N3O2 — CID 166184789

IUPAC3-[(carbamoylamino)methyl]benzamide
SMILESNC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C9H11N3O2/c10-8(13)7-3-1-2-6(4-7)5-12-9(11)14/h1-4H,5H2,(H2,10,13)(H3,11,12,14)
InChIKeyBXGHIZDUXQHTMT-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.05
Rot. Bonds3

About 3-[(carbamoylamino)methyl]benzamide

3-[(carbamoylamino)methyl]benzamide (PubChem CID 166184789) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-[(carbamoylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(carbamoylamino)methyl]benzamide
PubChem CID166184789
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-[(carbamoylamino)methyl]benzamide
SMILESNC(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C9H11N3O2/c10-8(13)7-3-1-2-6(4-7)5-12-9(11)14/h1-4H,5H2,(H2,10,13)(H3,11,12,14)
InChIKeyBXGHIZDUXQHTMT-UHFFFAOYSA-N
XLogP-0.05
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
CID 119287433
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
(3-ethylphenyl)methylurea
CID 70298508
(3-methylphenyl)methylurea
CID 60776531
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
3-[(2-bromobutanoylamino)methyl]benzamide
CID 62855612
3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide
CID 65229324
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517

Frequently Asked Questions

What is the IUPAC name of 3-[(carbamoylamino)methyl]benzamide?
The IUPAC name of 3-[(carbamoylamino)methyl]benzamide (CID 166184789) is 3-[(carbamoylamino)methyl]benzamide.
What is the SMILES notation for 3-[(carbamoylamino)methyl]benzamide?
The canonical SMILES for 3-[(carbamoylamino)methyl]benzamide is NC(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(carbamoylamino)methyl]benzamide?
The InChIKey is BXGHIZDUXQHTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8(13)7-3-1-2-6(4-7)5-12-9(11)14/h1-4H,5H2,(H2,10,13)(H3,11,12,14).
What are the key properties of 3-[(carbamoylamino)methyl]benzamide?
3-[(carbamoylamino)methyl]benzamide has a molecular weight of 193.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(carbamoylamino)methyl]benzamide is sourced from PubChem (CID 166184789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).