N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide

C22H19N3O4 — CID 1246678

IUPACN-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O4/c1-29-19-13-9-17(10-14-19)22(28)25-24-21(27)16-7-11-18(12-8-16)23-20(26)15-5-3-2-4-6-15/h2-14H,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyAOELCASBBRMISX-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.02
Rot. Bonds5

About N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide

N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 1246678) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID1246678
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O4/c1-29-19-13-9-17(10-14-19)22(28)25-24-21(27)16-7-11-18(12-8-16)23-20(26)15-5-3-2-4-6-15/h2-14H,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyAOELCASBBRMISX-UHFFFAOYSA-N
XLogP3.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
2-deuterio-4-methoxy-N-phenylbenzamide
CID 141045741
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide (CID 1246678) is N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide is COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is AOELCASBBRMISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-19-13-9-17(10-14-19)22(28)25-24-21(27)16-7-11-18(12-8-16)23-20(26)15-5-3-2-4-6-15/h2-14H,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 389.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 1246678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).