2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide

C16H15ClN4O4 — CID 55611030

IUPAC2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H15ClN4O4/c1-20(2)14-6-4-10(21(24)25)8-12(14)16(23)19-9-3-5-11(15(18)22)13(17)7-9/h3-8H,1-2H3,(H2,18,22)(H,19,23)
InChIKeyNFSHJOKOZFZWPR-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.67
Rot. Bonds5

About 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide

2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide (PubChem CID 55611030) has the molecular formula C16H15ClN4O4 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
PubChem CID55611030
Molecular FormulaC16H15ClN4O4
Molecular Weight362.77 g/mol
Exact Mass362.08
IUPAC Name2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H15ClN4O4/c1-20(2)14-6-4-10(21(24)25)8-12(14)16(23)19-9-3-5-11(15(18)22)13(17)7-9/h3-8H,1-2H3,(H2,18,22)(H,19,23)
InChIKeyNFSHJOKOZFZWPR-UHFFFAOYSA-N
XLogP2.67
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
5-[(2-chloro-4-nitrobenzoyl)amino]-2-(dimethylamino)-N-[(4-fluorophenyl)methyl]benzamide
CID 42747594
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2-[(3,4-dichlorophenyl)carbamoyl]-4-nitrobenzoate
CID 7386526
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(dimethylamino)-5-nitrobenzamide
CID 18098111
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
2-(dimethylamino)-5-nitro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide (CID 55611030) is 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide?
The InChIKey is NFSHJOKOZFZWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4/c1-20(2)14-6-4-10(21(24)25)8-12(14)16(23)19-9-3-5-11(15(18)22)13(17)7-9/h3-8H,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide?
2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide has a molecular weight of 362.77 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide is sourced from PubChem (CID 55611030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).