2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide

C27H22N4O3 — CID 71601154

IUPAC2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H22N4O3/c28-22-15-7-4-12-19(22)25(32)30-24-17-9-6-14-21(24)27(34)31-23-16-8-5-13-20(23)26(33)29-18-10-2-1-3-11-18/h1-17H,28H2,(H,29,33)(H,30,32)(H,31,34)
InChIKeyYLYSHUHGJNCRCX-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.03
Rot. Bonds6

About 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide

2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 71601154) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID71601154
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H22N4O3/c28-22-15-7-4-12-19(22)25(32)30-24-17-9-6-14-21(24)27(34)31-23-16-8-5-13-20(23)26(33)29-18-10-2-1-3-11-18/h1-17H,28H2,(H,29,33)(H,30,32)(H,31,34)
InChIKeyYLYSHUHGJNCRCX-UHFFFAOYSA-N
XLogP5.03
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-amino-N-(3-anilinophenyl)benzamide
CID 155671979
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide (CID 71601154) is 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide is Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is YLYSHUHGJNCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c28-22-15-7-4-12-19(22)25(32)30-24-17-9-6-14-21(24)27(34)31-23-16-8-5-13-20(23)26(33)29-18-10-2-1-3-11-18/h1-17H,28H2,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide?
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 450.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 71601154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).