2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide

C14H17ClN2O4 — CID 60668843

IUPAC2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
SMILESO=C(NCCCOCC1CC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-13-5-4-11(17(19)20)8-12(13)14(18)16-6-1-7-21-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,16,18)
InChIKeyFDVARVIRZWZCHF-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.79
Rot. Bonds8

About 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide

2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide (PubChem CID 60668843) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
PubChem CID60668843
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
SMILESO=C(NCCCOCC1CC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-13-5-4-11(17(19)20)8-12(13)14(18)16-6-1-7-21-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,16,18)
InChIKeyFDVARVIRZWZCHF-UHFFFAOYSA-N
XLogP2.79
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-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-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-3-nitropyridine-4-carboxamide
CID 64865933
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149
2-chloro-5-nitro-N-(thian-4-ylmethyl)benzamide
CID 115625147
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-nitrobenzamide
CID 103082387
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide (CID 60668843) is 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide is O=C(NCCCOCC1CC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide?
The InChIKey is FDVARVIRZWZCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-13-5-4-11(17(19)20)8-12(13)14(18)16-6-1-7-21-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,16,18).
What are the key properties of 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide?
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide has a molecular weight of 312.75 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide is sourced from PubChem (CID 60668843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).