N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide

C14H15ClN2O — CID 3244797

IUPACN-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-13-5-3-12(4-6-13)11-16-14(18)7-10-17-8-1-2-9-17/h1-6,8-9H,7,10-11H2,(H,16,18)
InChIKeyCEEBLTXFVZQDSB-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.85
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide

N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide (PubChem CID 3244797) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide
PubChem CID3244797
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-13-5-3-12(4-6-13)11-16-14(18)7-10-17-8-1-2-9-17/h1-6,8-9H,7,10-11H2,(H,16,18)
InChIKeyCEEBLTXFVZQDSB-UHFFFAOYSA-N
XLogP2.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide (CID 3244797) is N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is CEEBLTXFVZQDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-5-3-12(4-6-13)11-16-14(18)7-10-17-8-1-2-9-17/h1-6,8-9H,7,10-11H2,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide?
N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 262.74 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3244797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).