2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide

C18H15ClN4O4 — CID 55766528

IUPAC2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H15ClN4O4/c19-17-12-14(23(25)26)5-6-16(17)18(24)21-13-3-1-4-15(11-13)27-10-9-22-8-2-7-20-22/h1-8,11-12H,9-10H2,(H,21,24)
InChIKeyNKTUQSJIMVYNFB-UHFFFAOYSA-N
MW386.80 g/mol
LogP3.78
Rot. Bonds7

About 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide

2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide (PubChem CID 55766528) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
PubChem CID55766528
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC Name2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H15ClN4O4/c19-17-12-14(23(25)26)5-6-16(17)18(24)21-13-3-1-4-15(11-13)27-10-9-22-8-2-7-20-22/h1-8,11-12H,9-10H2,(H,21,24)
InChIKeyNKTUQSJIMVYNFB-UHFFFAOYSA-N
XLogP3.78
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(4-nitrophenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-carboxamide
CID 55855677
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
2-chloro-4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17486644
2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 130176587
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
methyl 2-ethyl-4-methyl-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55767652
1-(4-chlorophenyl)-5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 78901983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide (CID 55766528) is 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide is O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The InChIKey is NKTUQSJIMVYNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c19-17-12-14(23(25)26)5-6-16(17)18(24)21-13-3-1-4-15(11-13)27-10-9-22-8-2-7-20-22/h1-8,11-12H,9-10H2,(H,21,24).
What are the key properties of 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide has a molecular weight of 386.80 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 55766528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).