4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

C17H20ClN3O3 — CID 51090386

IUPAC4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C17H20ClN3O3/c1-2-24-8-4-7-19-16(22)12-5-3-6-14(9-12)21-17(23)15-10-13(18)11-20-15/h3,5-6,9-11,20H,2,4,7-8H2,1H3,(H,19,22)(H,21,23)
InChIKeyDHTCFNNZDFYAMD-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.08
Rot. Bonds8

About 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 51090386) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID51090386
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C17H20ClN3O3/c1-2-24-8-4-7-19-16(22)12-5-3-6-14(9-12)21-17(23)15-10-13(18)11-20-15/h3,5-6,9-11,20H,2,4,7-8H2,1H3,(H,19,22)(H,21,23)
InChIKeyDHTCFNNZDFYAMD-UHFFFAOYSA-N
XLogP3.08
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55968926
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741856
4-chloro-N-(3-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47340946
ethyl 6-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55801513
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (CID 51090386) is 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)c2cc(Cl)c[nH]2)c1.
What is the InChIKey of 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DHTCFNNZDFYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-2-24-8-4-7-19-16(22)12-5-3-6-14(9-12)21-17(23)15-10-13(18)11-20-15/h3,5-6,9-11,20H,2,4,7-8H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51090386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).