2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide

C24H19ClN4O5 — CID 55396013

IUPAC2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C24H19ClN4O5/c25-20-14-17(29(33)34)10-11-18(20)23(31)27-21-8-2-1-7-19(21)24(32)26-15-5-3-6-16(13-15)28-12-4-9-22(28)30/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,26,32)(H,27,31)
InChIKeyWMCGSWWLTCHWCB-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.88
Rot. Bonds6

About 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide

2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 55396013) has the molecular formula C24H19ClN4O5 and a molecular weight of 478.89 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID55396013
Molecular FormulaC24H19ClN4O5
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC Name2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C24H19ClN4O5/c25-20-14-17(29(33)34)10-11-18(20)23(31)27-21-8-2-1-7-19(21)24(32)26-15-5-3-6-16(13-15)28-12-4-9-22(28)30/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,26,32)(H,27,31)
InChIKeyWMCGSWWLTCHWCB-UHFFFAOYSA-N
XLogP4.88
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.88
H-Bond Donors ≤ 52
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

2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17487375
2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
3-[(2-chloro-4-nitrobenzoyl)amino]-2-methylbenzoic acid
CID 28671552
N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248679
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-chloro-4-nitro-N-[2-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]phenyl]benzamide
CID 24674094
2-chloro-4-nitro-N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]benzamide
CID 55972675
2-chloro-N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-4-nitrobenzamide
CID 30898786
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide (CID 55396013) is 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is WMCGSWWLTCHWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5/c25-20-14-17(29(33)34)10-11-18(20)23(31)27-21-8-2-1-7-19(21)24(32)26-15-5-3-6-16(13-15)28-12-4-9-22(28)30/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,26,32)(H,27,31).
What are the key properties of 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide?
2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 478.89 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 55396013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).