3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide

C18H19ClN2O2 — CID 58315691

IUPAC3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc([C@H]2CNCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c19-16-3-1-2-15(10-16)18(22)21-11-13-4-6-14(7-5-13)17-12-20-8-9-23-17/h1-7,10,17,20H,8-9,11-12H2,(H,21,22)/t17-/m1/s1
InChIKeyFCVFLKLHSWPDHN-QGZVFWFLSA-N
MW330.82 g/mol
LogP2.93
Rot. Bonds4

About 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide

3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide (PubChem CID 58315691) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
PubChem CID58315691
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc([C@H]2CNCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c19-16-3-1-2-15(10-16)18(22)21-11-13-4-6-14(7-5-13)17-12-20-8-9-23-17/h1-7,10,17,20H,8-9,11-12H2,(H,21,22)/t17-/m1/s1
InChIKeyFCVFLKLHSWPDHN-QGZVFWFLSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bibb-515
CID 501398
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]benzamide;hydrochloride
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(2,6-Dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2366906
(4-Chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2417389
2-(4-methylphenyl)-2-oxo-1-phenylethyl N-(4-chlorobenzoyl)glycinate
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2-chlorobenzyl N-benzoylglycylglycinate
CID 2953495
N-[(2S)-3-(3-chlorophenyl)-1-[[(1R,2R)-1-cyano-2-phenylmethoxypropyl]amino]-1-oxopropan-2-yl]-4-phenylbenzamide
CID 162660645
N-[(3-chlorophenyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
CID 71453057
N-[2-(benzyloxy)ethyl]-2-chlorobenzamide
CID 2222859
4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315590
3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide
CID 58315645
4-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide (CID 58315691) is 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide is O=C(NCc1ccc([C@H]2CNCCO2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide?
The InChIKey is FCVFLKLHSWPDHN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-3-1-2-15(10-16)18(22)21-11-13-4-6-14(7-5-13)17-12-20-8-9-23-17/h1-7,10,17,20H,8-9,11-12H2,(H,21,22)/t17-/m1/s1.
What are the key properties of 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide?
3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58315691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).