4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide

C14H15ClN2O2 — CID 54903799

IUPAC4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-9-11(15)7-13(17)14(19)16-8-10-4-3-5-12(18)6-10/h3-7,9,18H,2,8H2,1H3,(H,16,19)
InChIKeyITXNZQNQPWFPRJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.80
Rot. Bonds4

About 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide

4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 54903799) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
PubChem CID54903799
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-9-11(15)7-13(17)14(19)16-8-10-4-3-5-12(18)6-10/h3-7,9,18H,2,8H2,1H3,(H,16,19)
InChIKeyITXNZQNQPWFPRJ-UHFFFAOYSA-N
XLogP2.80
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424
4-amino-1-ethyl-N-[(3-methylphenyl)methyl]pyrrole-2-carboxamide
CID 54944283
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 62267384
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
CID 114153098
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 103765522
4-chloro-1-ethyl-N-[2-methyl-3-(methylamino)propyl]pyrrole-2-carboxamide
CID 113282529
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide (CID 54903799) is 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NCc1cccc(O)c1.
What is the InChIKey of 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is ITXNZQNQPWFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-17-9-11(15)7-13(17)14(19)16-8-10-4-3-5-12(18)6-10/h3-7,9,18H,2,8H2,1H3,(H,16,19).
What are the key properties of 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 54903799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).