5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide

C23H23ClN2O2 — CID 176502935

IUPAC5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide
SMILESCc1c(Cl)cccc1-c1cccc2cc(C(=O)NCC3(O)CCNC3)ccc12
InChIInChI=1S/C23H23ClN2O2/c1-15-18(5-3-7-21(15)24)20-6-2-4-16-12-17(8-9-19(16)20)22(27)26-14-23(28)10-11-25-13-23/h2-9,12,25,28H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyXTQIMIUXRSILIE-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.92
Rot. Bonds4

About 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide

5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide (PubChem CID 176502935) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide
PubChem CID176502935
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide
SMILESCc1c(Cl)cccc1-c1cccc2cc(C(=O)NCC3(O)CCNC3)ccc12
InChIInChI=1S/C23H23ClN2O2/c1-15-18(5-3-7-21(15)24)20-6-2-4-16-12-17(8-9-19(16)20)22(27)26-14-23(28)10-11-25-13-23/h2-9,12,25,28H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyXTQIMIUXRSILIE-UHFFFAOYSA-N
XLogP3.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
CID 114189517
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 118765598
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 126447612
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
CID 99942311
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide (CID 176502935) is 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide is Cc1c(Cl)cccc1-c1cccc2cc(C(=O)NCC3(O)CCNC3)ccc12.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is XTQIMIUXRSILIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-15-18(5-3-7-21(15)24)20-6-2-4-16-12-17(8-9-19(16)20)22(27)26-14-23(28)10-11-25-13-23/h2-9,12,25,28H,10-11,13-14H2,1H3,(H,26,27).
What are the key properties of 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide?
5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 394.90 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 176502935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).