N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide

C19H19ClN2O3 — CID 109045422

IUPACN-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-17-7-1-14(2-8-17)13-21-18(23)15-3-5-16(6-4-15)19(24)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeySQAHQFTYWQRTCO-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.74
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide

N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide (PubChem CID 109045422) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
PubChem CID109045422
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-17-7-1-14(2-8-17)13-21-18(23)15-3-5-16(6-4-15)19(24)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeySQAHQFTYWQRTCO-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)phenyl]methyl]benzamide
CID 127243735
N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide
CID 68558405
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
6-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42897099
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959825
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174419120
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide (CID 109045422) is N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is SQAHQFTYWQRTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-17-7-1-14(2-8-17)13-21-18(23)15-3-5-16(6-4-15)19(24)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide?
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 358.83 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 109045422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).