3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

C29H27ClN2O3 — CID 59553438

IUPAC3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C29H27ClN2O3/c30-24-8-4-6-22(20-24)21-5-3-7-23(19-21)29(33)31-27-11-12-28(26-10-2-1-9-25(26)27)35-18-15-32-13-16-34-17-14-32/h1-12,19-20H,13-18H2,(H,31,33)
InChIKeyKPGPOVFZVLYQAM-UHFFFAOYSA-N
MW487.00 g/mol
LogP6.12
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 59553438) has the molecular formula C29H27ClN2O3 and a molecular weight of 487.00 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID59553438
Molecular FormulaC29H27ClN2O3
Molecular Weight487.00 g/mol
Exact Mass486.17
IUPAC Name3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C29H27ClN2O3/c30-24-8-4-6-22(20-24)21-5-3-7-23(19-21)29(33)31-27-11-12-28(26-10-2-1-9-25(26)27)35-18-15-32-13-16-34-17-14-32/h1-12,19-20H,13-18H2,(H,31,33)
InChIKeyKPGPOVFZVLYQAM-UHFFFAOYSA-N
XLogP6.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 59553438) is 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is KPGPOVFZVLYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O3/c30-24-8-4-6-22(20-24)21-5-3-7-23(19-21)29(33)31-27-11-12-28(26-10-2-1-9-25(26)27)35-18-15-32-13-16-34-17-14-32/h1-12,19-20H,13-18H2,(H,31,33).
What are the key properties of 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 487.00 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 59553438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).