N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide

C10H14ClN3O4 — CID 114171349

IUPACN-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCOCCCl)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C10H14ClN3O4/c11-2-5-18-4-1-3-12-10(15)9-6-8(7-13-9)14(16)17/h6-7,13H,1-5H2,(H,12,15)
InChIKeyFABZCJXHQZYJAY-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.30
Rot. Bonds8

About N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide

N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide (PubChem CID 114171349) has the molecular formula C10H14ClN3O4 and a molecular weight of 275.69 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide
PubChem CID114171349
Molecular FormulaC10H14ClN3O4
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC NameN-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCOCCCl)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C10H14ClN3O4/c11-2-5-18-4-1-3-12-10(15)9-6-8(7-13-9)14(16)17/h6-7,13H,1-5H2,(H,12,15)
InChIKeyFABZCJXHQZYJAY-UHFFFAOYSA-N
XLogP1.30
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide 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

N-[3-(2-chloroethoxy)propyl]-4-nitrobenzamide
CID 114171314
N-[3-(2-chloroethoxy)propyl]-3-nitrobenzamide
CID 114171390
4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
CID 61131829
N-(3-chloro-2,2-dimethylpropyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 115364680
N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 9403278
methyl 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]acetate
CID 43408669
2-methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 80538660
N-[2-(cycloheptylamino)ethyl]-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119619170
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104955047
4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 43600166
N-[3-(2-chloroethoxy)propyl]-4-methoxy-3-nitrobenzamide
CID 106306591

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide (CID 114171349) is N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide is O=C(NCCCOCCCl)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is FABZCJXHQZYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4/c11-2-5-18-4-1-3-12-10(15)9-6-8(7-13-9)14(16)17/h6-7,13H,1-5H2,(H,12,15).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide?
N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 275.69 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114171349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).