2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide

C18H16ClN3O5 — CID 4676090

IUPAC2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H16ClN3O5/c19-15-6-5-12(22(25)26)11-14(15)17(23)20-16-4-2-1-3-13(16)18(24)21-7-9-27-10-8-21/h1-6,11H,7-10H2,(H,20,23)
InChIKeyVQRWUPFBEXBUSA-UHFFFAOYSA-N
MW389.80 g/mol
LogP2.97
Rot. Bonds4

About 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide

2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide (PubChem CID 4676090) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
PubChem CID4676090
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H16ClN3O5/c19-15-6-5-12(22(25)26)11-14(15)17(23)20-16-4-2-1-3-13(16)18(24)21-7-9-27-10-8-21/h1-6,11H,7-10H2,(H,20,23)
InChIKeyVQRWUPFBEXBUSA-UHFFFAOYSA-N
XLogP2.97
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
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'}

Analyze 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 60596512
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 4933099
2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903889
methyl 3-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]-5-nitrobenzoate
CID 3938037
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
3,4,5-trimethoxy-N-[2-(morpholine-4-carbonyl)phenyl]-2-nitrobenzamide
CID 55546101
2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 78837706
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide (CID 4676090) is 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
The InChIKey is VQRWUPFBEXBUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c19-15-6-5-12(22(25)26)11-14(15)17(23)20-16-4-2-1-3-13(16)18(24)21-7-9-27-10-8-21/h1-6,11H,7-10H2,(H,20,23).
What are the key properties of 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide has a molecular weight of 389.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 4676090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).