4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide

C23H22ClNO3 — CID 172670036

IUPAC4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide
SMILESCc1cc(-c2ccc(C(=O)N[C@@H]3CC[C@@H](O)[C@@H]3O)c3ccccc23)ccc1Cl
InChIInChI=1S/C23H22ClNO3/c1-13-12-14(6-9-19(13)24)15-7-8-18(17-5-3-2-4-16(15)17)23(28)25-20-10-11-21(26)22(20)27/h2-9,12,20-22,26-27H,10-11H2,1H3,(H,25,28)/t20-,21-,22-/m1/s1
InChIKeyHKVPGLAUEUHRIX-YPAWHYETSA-N
MW395.89 g/mol
LogP4.08
Rot. Bonds3

About 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide

4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide (PubChem CID 172670036) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide
PubChem CID172670036
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide
SMILESCc1cc(-c2ccc(C(=O)N[C@@H]3CC[C@@H](O)[C@@H]3O)c3ccccc23)ccc1Cl
InChIInChI=1S/C23H22ClNO3/c1-13-12-14(6-9-19(13)24)15-7-8-18(17-5-3-2-4-16(15)17)23(28)25-20-10-11-21(26)22(20)27/h2-9,12,20-22,26-27H,10-11H2,1H3,(H,25,28)/t20-,21-,22-/m1/s1
InChIKeyHKVPGLAUEUHRIX-YPAWHYETSA-N
XLogP4.08
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 172660678
2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
CID 110125116
N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 175640958
2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
CID 110125150
4-[(E)-3-[[1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino]-3-oxoprop-1-enyl]-N-cyclopropylnaphthalene-1-carboxamide
CID 118503341
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
2-methyl-4-(2-methylphenyl)-N-[2-(2,4,5-trimethylphenyl)cyclopentyl]benzamide
CID 21366688
4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide
CID 110166096
4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 126020160
4-fluoro-N-[(1S,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 126020152
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125125
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide?
The IUPAC name of 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide (CID 172670036) is 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide is Cc1cc(-c2ccc(C(=O)N[C@@H]3CC[C@@H](O)[C@@H]3O)c3ccccc23)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide?
The InChIKey is HKVPGLAUEUHRIX-YPAWHYETSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-13-12-14(6-9-19(13)24)15-7-8-18(17-5-3-2-4-16(15)17)23(28)25-20-10-11-21(26)22(20)27/h2-9,12,20-22,26-27H,10-11H2,1H3,(H,25,28)/t20-,21-,22-/m1/s1.
What are the key properties of 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide?
4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide is sourced from PubChem (CID 172670036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).