2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

C17H16ClN3O4 — CID 17127061

IUPAC2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O4/c18-14-4-2-1-3-13(14)17(22)19-12-5-6-15(16(11-12)21(23)24)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22)
InChIKeyJGVLPOJWRDYKEN-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.34
Rot. Bonds4

About 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (PubChem CID 17127061) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
PubChem CID17127061
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O4/c18-14-4-2-1-3-13(14)17(22)19-12-5-6-15(16(11-12)21(23)24)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22)
InChIKeyJGVLPOJWRDYKEN-UHFFFAOYSA-N
XLogP3.34
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
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

N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17117691
N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17314836
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127080
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
2,5-dichloro-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide
CID 17127237
N-(4-morpholin-4-yl-3-nitrophenyl)-4-propan-2-ylbenzamide
CID 17127057
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118026
2-chloro-4-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689132
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (CID 17127061) is 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The InChIKey is JGVLPOJWRDYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c18-14-4-2-1-3-13(14)17(22)19-12-5-6-15(16(11-12)21(23)24)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22).
What are the key properties of 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide has a molecular weight of 361.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is sourced from PubChem (CID 17127061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).