4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide

C19H21ClFNO2 — CID 67276704

IUPAC4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C19H21ClFNO2/c1-4-14(5-2)22-19(23)15-8-6-12(10-17(15)21)16-11-13(20)7-9-18(16)24-3/h6-11,14H,4-5H2,1-3H3,(H,22,23)
InChIKeyNVBKASMQYRPKGM-UHFFFAOYSA-N
MW349.83 g/mol
LogP5.07
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide

4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide (PubChem CID 67276704) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide
PubChem CID67276704
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C19H21ClFNO2/c1-4-14(5-2)22-19(23)15-8-6-12(10-17(15)21)16-11-13(20)7-9-18(16)24-3/h6-11,14H,4-5H2,1-3H3,(H,22,23)
InChIKeyNVBKASMQYRPKGM-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.83
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide (CID 67276704) is 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1F.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide?
The InChIKey is NVBKASMQYRPKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-4-14(5-2)22-19(23)15-8-6-12(10-17(15)21)16-11-13(20)7-9-18(16)24-3/h6-11,14H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide?
4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide has a molecular weight of 349.83 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-pentan-3-ylbenzamide is sourced from PubChem (CID 67276704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).