[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid

C15H15N3O3 — CID 134584304

IUPAC[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
SMILESNNC(=O)c1ccc(CN(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c16-17-14(19)12-8-6-11(7-9-12)10-18(15(20)21)13-4-2-1-3-5-13/h1-9H,10,16H2,(H,17,19)(H,20,21)
InChIKeyHOAMKYNZIVYMLY-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.97
Rot. Bonds4

About [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid

[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid (PubChem CID 134584304) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid.

Molecular Properties

Compound Name[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
PubChem CID134584304
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
SMILESNNC(=O)c1ccc(CN(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c16-17-14(19)12-8-6-11(7-9-12)10-18(15(20)21)13-4-2-1-3-5-13/h1-9H,10,16H2,(H,17,19)(H,20,21)
InChIKeyHOAMKYNZIVYMLY-UHFFFAOYSA-N
XLogP1.97
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584488
4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584094
N-[benzyl(phenyl)carbamothioyl]benzamide
CID 44825170
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
CID 171441081
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
benzohydrazide;molybdenum
CID 162076561
phenyl-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 158988561
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]benzamide
CID 126544300

Frequently Asked Questions

What is the IUPAC name of [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid?
The IUPAC name of [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid (CID 134584304) is [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid.
What is the SMILES notation for [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid?
The canonical SMILES for [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid is NNC(=O)c1ccc(CN(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid?
The InChIKey is HOAMKYNZIVYMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-17-14(19)12-8-6-11(7-9-12)10-18(15(20)21)13-4-2-1-3-5-13/h1-9H,10,16H2,(H,17,19)(H,20,21).
What are the key properties of [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid?
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid has a molecular weight of 285.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid is sourced from PubChem (CID 134584304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).