[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone

C18H13ClFNO3 — CID 175785307

IUPAC[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(F)cc1Oc1ccc(C(=O)c2cc[nH]c2)c(Cl)c1
InChIInChI=1S/C18H13ClFNO3/c1-23-16-5-2-12(20)8-17(16)24-13-3-4-14(15(19)9-13)18(22)11-6-7-21-10-11/h2-10,21H,1H3
InChIKeyMZCZLBBBBKNOFW-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.84
Rot. Bonds5

About [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone

[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone (PubChem CID 175785307) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone
PubChem CID175785307
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Name[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(F)cc1Oc1ccc(C(=O)c2cc[nH]c2)c(Cl)c1
InChIInChI=1S/C18H13ClFNO3/c1-23-16-5-2-12(20)8-17(16)24-13-3-4-14(15(19)9-13)18(22)11-6-7-21-10-11/h2-10,21H,1H3
InChIKeyMZCZLBBBBKNOFW-UHFFFAOYSA-N
XLogP4.84
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone
CID 63749439
1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone
CID 55231177
[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
CID 141114249
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
2-chloro-4-(2,4-difluorophenoxy)benzenecarbothioamide
CID 62948650
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 8826178
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone (CID 175785307) is [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone is COc1ccc(F)cc1Oc1ccc(C(=O)c2cc[nH]c2)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is MZCZLBBBBKNOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c1-23-16-5-2-12(20)8-17(16)24-13-3-4-14(15(19)9-13)18(22)11-6-7-21-10-11/h2-10,21H,1H3.
What are the key properties of [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone?
[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 345.76 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 175785307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).