benzenecarboximidoyl(benzyl)carbamic acid

C15H14N2O2 — CID 150321176

IUPACbenzenecarboximidoyl(benzyl)carbamic acid
SMILES[H]/N=C(\c1ccccc1)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H14N2O2/c16-14(13-9-5-2-6-10-13)17(15(18)19)11-12-7-3-1-4-8-12/h1-10,16H,11H2,(H,18,19)/b16-14+
InChIKeyGNQXNENTVYMKMV-JQIJEIRASA-N
MW254.29 g/mol
LogP3.19
Rot. Bonds3

About benzenecarboximidoyl(benzyl)carbamic acid

benzenecarboximidoyl(benzyl)carbamic acid (PubChem CID 150321176) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is benzenecarboximidoyl(benzyl)carbamic acid.

Molecular Properties

Compound Namebenzenecarboximidoyl(benzyl)carbamic acid
PubChem CID150321176
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namebenzenecarboximidoyl(benzyl)carbamic acid
SMILES[H]/N=C(\c1ccccc1)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H14N2O2/c16-14(13-9-5-2-6-10-13)17(15(18)19)11-12-7-3-1-4-8-12/h1-10,16H,11H2,(H,18,19)/b16-14+
InChIKeyGNQXNENTVYMKMV-JQIJEIRASA-N
XLogP3.19
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[4-[[[(2S)-azetidine-2-carbonyl]amino]methyl]benzenecarboximidoyl]-benzylcarbamic acid;hydrochloride
CID 167431213
[4-[[[2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-fluoropropanoyl]amino]methyl]benzenecarboximidoyl]-benzylcarbamic acid
CID 162348959
N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
CID 102200387
2-[4-[[benzoyl(dibenzylcarbamoyl)amino]methyl]phenyl]acetic acid
CID 101258825
CID 139239943
CID 139239943
benzyl-[4-[2-(benzylamino)-1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-oxoethoxy]benzenecarboximidoyl]carbamic acid
CID 67443850
benzyl(chloro)carbamic acid
CID 54007228
3-amino-N-benzyl-3-imino-N-methylpropanamide
CID 99990430
N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
CID 101027288
2-phenylethanimidamide
CID 27787
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
1,1-dibenzylguanidine
CID 9487

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidoyl(benzyl)carbamic acid?
The IUPAC name of benzenecarboximidoyl(benzyl)carbamic acid (CID 150321176) is benzenecarboximidoyl(benzyl)carbamic acid.
What is the SMILES notation for benzenecarboximidoyl(benzyl)carbamic acid?
The canonical SMILES for benzenecarboximidoyl(benzyl)carbamic acid is [H]/N=C(\c1ccccc1)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzenecarboximidoyl(benzyl)carbamic acid?
The InChIKey is GNQXNENTVYMKMV-JQIJEIRASA-N. The full InChI is InChI=1S/C15H14N2O2/c16-14(13-9-5-2-6-10-13)17(15(18)19)11-12-7-3-1-4-8-12/h1-10,16H,11H2,(H,18,19)/b16-14+.
What are the key properties of benzenecarboximidoyl(benzyl)carbamic acid?
benzenecarboximidoyl(benzyl)carbamic acid has a molecular weight of 254.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidoyl(benzyl)carbamic acid is sourced from PubChem (CID 150321176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).