N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide

C21H15ClN4O5 — CID 126229161

IUPACN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN4O5/c22-16-8-4-14(5-9-16)20(28)24-25-21(29)15-2-1-3-17(12-15)23-19(27)13-6-10-18(11-7-13)26(30)31/h1-12H,(H,23,27)(H,24,28)(H,25,29)
InChIKeyFSNPQBWMGFEXJF-UHFFFAOYSA-N
MW438.83 g/mol
LogP3.58
Rot. Bonds5

About N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide

N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide (PubChem CID 126229161) has the molecular formula C21H15ClN4O5 and a molecular weight of 438.83 g/mol. Its IUPAC name is N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
PubChem CID126229161
Molecular FormulaC21H15ClN4O5
Molecular Weight438.83 g/mol
Exact Mass438.07
IUPAC NameN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN4O5/c22-16-8-4-14(5-9-16)20(28)24-25-21(29)15-2-1-3-17(12-15)23-19(27)13-6-10-18(11-7-13)26(30)31/h1-12H,(H,23,27)(H,24,28)(H,25,29)
InChIKeyFSNPQBWMGFEXJF-UHFFFAOYSA-N
XLogP3.58
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.83
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 86809585
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide (CID 126229161) is N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide is O=C(NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
The InChIKey is FSNPQBWMGFEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O5/c22-16-8-4-14(5-9-16)20(28)24-25-21(29)15-2-1-3-17(12-15)23-19(27)13-6-10-18(11-7-13)26(30)31/h1-12H,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide has a molecular weight of 438.83 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 126229161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).