3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide

C21H24ClNO2 — CID 100590455

IUPAC3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-14-4-10-17-18(13-21(2,3)25-19(17)12-14)23-20(24)11-7-15-5-8-16(22)9-6-15/h4-6,8-10,12,18H,7,11,13H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeyIJDLVUPQQZOQGA-SFHVURJKSA-N
MW357.88 g/mol
LogP5.00
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide

3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide (PubChem CID 100590455) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
PubChem CID100590455
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-14-4-10-17-18(13-21(2,3)25-19(17)12-14)23-20(24)11-7-15-5-8-16(22)9-6-15/h4-6,8-10,12,18H,7,11,13H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeyIJDLVUPQQZOQGA-SFHVURJKSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
4-(4-chlorophenyl)sulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662172
3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133256865
1-[(4-chlorophenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013829
2-(3-bromophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701250
2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43899067
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
1-(4-chlorophenyl)-3-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100719343
2-(4-chlorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656172

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide (CID 100590455) is 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide is Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The InChIKey is IJDLVUPQQZOQGA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-14-4-10-17-18(13-21(2,3)25-19(17)12-14)23-20(24)11-7-15-5-8-16(22)9-6-15/h4-6,8-10,12,18H,7,11,13H2,1-3H3,(H,23,24)/t18-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide has a molecular weight of 357.88 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide is sourced from PubChem (CID 100590455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).