4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide

C19H19ClFNO2 — CID 133201576

IUPAC4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)C(NC(=O)c1ccc(Cl)cc1F)CC(C)(C)O2
InChIInChI=1S/C19H19ClFNO2/c1-11-4-7-17-14(8-11)16(10-19(2,3)24-17)22-18(23)13-6-5-12(20)9-15(13)21/h4-9,16H,10H2,1-3H3,(H,22,23)
InChIKeyNGSHFOVDHRJPHB-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.82
Rot. Bonds2

About 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide

4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 133201576) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID133201576
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)C(NC(=O)c1ccc(Cl)cc1F)CC(C)(C)O2
InChIInChI=1S/C19H19ClFNO2/c1-11-4-7-17-14(8-11)16(10-19(2,3)24-17)22-18(23)13-6-5-12(20)9-15(13)21/h4-9,16H,10H2,1-3H3,(H,22,23)
InChIKeyNGSHFOVDHRJPHB-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100716303
(E)-3-(4-chlorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)prop-2-enamide
CID 132653752
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
CID 132652579
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656171
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
2-(4-chlorophenyl)sulfanyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662167
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 133201576) is 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide is Cc1ccc2c(c1)C(NC(=O)c1ccc(Cl)cc1F)CC(C)(C)O2.
What is the InChIKey of 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is NGSHFOVDHRJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c1-11-4-7-17-14(8-11)16(10-19(2,3)24-17)22-18(23)13-6-5-12(20)9-15(13)21/h4-9,16H,10H2,1-3H3,(H,22,23).
What are the key properties of 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 347.82 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 133201576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).