N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide

C18H17ClN2O2 — CID 46342550

IUPACN-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1ccco1)n1cccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c19-15-7-5-14(6-8-15)13-20-18(22)12-16(17-4-3-11-23-17)21-9-1-2-10-21/h1-11,16H,12-13H2,(H,20,22)
InChIKeyRAGPKGOLCKCXFC-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.03
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide

N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342550) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
PubChem CID46342550
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1ccco1)n1cccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c19-15-7-5-14(6-8-15)13-20-18(22)12-16(17-4-3-11-23-17)21-9-1-2-10-21/h1-11,16H,12-13H2,(H,20,22)
InChIKeyRAGPKGOLCKCXFC-UHFFFAOYSA-N
XLogP4.03
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709021
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709071
(3R)-3-(furan-2-yl)-N-pyridin-3-yl-3-pyrrol-1-ylpropanamide
CID 92725440
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
4-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 110302200
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555075
2-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111130687
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide (CID 46342550) is N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide is O=C(CC(c1ccco1)n1cccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
The InChIKey is RAGPKGOLCKCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-7-5-14(6-8-15)13-20-18(22)12-16(17-4-3-11-23-17)21-9-1-2-10-21/h1-11,16H,12-13H2,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide has a molecular weight of 328.80 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).