N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide

C23H22N4O3 — CID 90010840

IUPACN-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide
SMILES[H]/N=C(\N)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C23H22N4O3/c1-2-30-20-13-6-4-11-18(20)23(29)27-19-12-5-3-10-17(19)22(28)26-16-9-7-8-15(14-16)21(24)25/h3-14H,2H2,1H3,(H3,24,25)(H,26,28)(H,27,29)
InChIKeyBCLONUXXYULIDN-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.87
Rot. Bonds7

About N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide

N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide (PubChem CID 90010840) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide
PubChem CID90010840
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide
SMILES[H]/N=C(\N)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCC)c1
InChIInChI=1S/C23H22N4O3/c1-2-30-20-13-6-4-11-18(20)23(29)27-19-12-5-3-10-17(19)22(28)26-16-9-7-8-15(14-16)21(24)25/h3-14H,2H2,1H3,(H3,24,25)(H,26,28)(H,27,29)
InChIKeyBCLONUXXYULIDN-UHFFFAOYSA-N
XLogP3.87
TPSA117.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
2-ethoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17219003
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 17198857
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide?
The IUPAC name of N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide (CID 90010840) is N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide is [H]/N=C(\N)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCC)c1.
What is the InChIKey of N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide?
The InChIKey is BCLONUXXYULIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-30-20-13-6-4-11-18(20)23(29)27-19-12-5-3-10-17(19)22(28)26-16-9-7-8-15(14-16)21(24)25/h3-14H,2H2,1H3,(H3,24,25)(H,26,28)(H,27,29).
What are the key properties of N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide?
N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide is sourced from PubChem (CID 90010840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).