3-[amino(hydroxy)methyl]benzamide

C8H10N2O2 — CID 140561822

IUPAC3-[amino(hydroxy)methyl]benzamide
SMILESNC(=O)c1cccc(C(N)O)c1
InChIInChI=1S/C8H10N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4,7,11H,9H2,(H2,10,12)
InChIKeyZCSTXECMZWJXEZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.26
Rot. Bonds2

About 3-[amino(hydroxy)methyl]benzamide

3-[amino(hydroxy)methyl]benzamide (PubChem CID 140561822) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-[amino(hydroxy)methyl]benzamide.

Molecular Properties

Compound Name3-[amino(hydroxy)methyl]benzamide
PubChem CID140561822
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-[amino(hydroxy)methyl]benzamide
SMILESNC(=O)c1cccc(C(N)O)c1
InChIInChI=1S/C8H10N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4,7,11H,9H2,(H2,10,12)
InChIKeyZCSTXECMZWJXEZ-UHFFFAOYSA-N
XLogP-0.26
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(dihydroxymethyl)benzamide
CID 174476205
3-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171881383
3-[(3-ethenylphenyl)-hydroxymethyl]benzamide
CID 118355740
3-(1,2,4-trihydroxybutyl)benzamide
CID 171872426
3-(4-bromo-1,2-dihydroxybutyl)benzamide
CID 171892135
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
3-[bromo(methoxy)methyl]benzamide
CID 57281068
3-(1-hydroxy-3,3-dimethylpentyl)benzamide
CID 142840268
methyl 4-(3-carbamoylphenyl)-3,4-dihydroxybutanoate
CID 171895716
3-carbamoylbenzoic acid
CID 3014284
3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide
CID 70362816
CID 153486649
CID 153486649

Frequently Asked Questions

What is the IUPAC name of 3-[amino(hydroxy)methyl]benzamide?
The IUPAC name of 3-[amino(hydroxy)methyl]benzamide (CID 140561822) is 3-[amino(hydroxy)methyl]benzamide.
What is the SMILES notation for 3-[amino(hydroxy)methyl]benzamide?
The canonical SMILES for 3-[amino(hydroxy)methyl]benzamide is NC(=O)c1cccc(C(N)O)c1.
What is the InChIKey of 3-[amino(hydroxy)methyl]benzamide?
The InChIKey is ZCSTXECMZWJXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4,7,11H,9H2,(H2,10,12).
What are the key properties of 3-[amino(hydroxy)methyl]benzamide?
3-[amino(hydroxy)methyl]benzamide has a molecular weight of 166.18 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(hydroxy)methyl]benzamide is sourced from PubChem (CID 140561822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).