N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide

C15H15N5O2 — CID 19422301

IUPACN-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide
SMILESNC(N)=NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H15N5O2/c16-14(17)20-13(21)10-5-4-8-12(9-10)19-15(22)18-11-6-2-1-3-7-11/h1-9H,(H2,18,19,22)(H4,16,17,20,21)
InChIKeyVQGMOFGZKRTARN-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.74
Rot. Bonds3

About N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide

N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide (PubChem CID 19422301) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide
PubChem CID19422301
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide
SMILESNC(N)=NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H15N5O2/c16-14(17)20-13(21)10-5-4-8-12(9-10)19-15(22)18-11-6-2-1-3-7-11/h1-9H,(H2,18,19,22)(H4,16,17,20,21)
InChIKeyVQGMOFGZKRTARN-UHFFFAOYSA-N
XLogP1.74
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.74
H-Bond Donors ≤ 54
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

S-anilino N-[3-(diaminomethylidenecarbamoyl)phenyl]carbamothioate
CID 19422292
3,5-dichloro-N-(diaminomethylidene)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 23205948
N-(diaminomethylidene)-3-[[4-(diaminomethylidenecarbamoyl)phenyl]sulfonylcarbamoylamino]benzamide
CID 67689366
1,3-bis[3-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea;hydrochloride
CID 54610529
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
1-(3-diphenylphosphanylphenyl)-3-phenylurea
CID 71413565
3-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16786471
benzamide;phenylurea
CID 143432016
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide (CID 19422301) is N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide is NC(N)=NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide?
The InChIKey is VQGMOFGZKRTARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-14(17)20-13(21)10-5-4-8-12(9-10)19-15(22)18-11-6-2-1-3-7-11/h1-9H,(H2,18,19,22)(H4,16,17,20,21).
What are the key properties of N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide?
N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide has a molecular weight of 297.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 19422301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).