N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide

C21H26ClN3O3 — CID 14881990

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
SMILESCN(C)c1cc(O)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl
InChIInChI=1S/C21H26ClN3O3/c1-24(2)19-11-20(26)17(10-18(19)22)21(27)23-12-16-14-25(8-9-28-16)13-15-6-4-3-5-7-15/h3-7,10-11,16,26H,8-9,12-14H2,1-2H3,(H,23,27)
InChIKeyYGCOCLJEXNAYMN-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.74
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide

N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide (PubChem CID 14881990) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
PubChem CID14881990
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
SMILESCN(C)c1cc(O)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl
InChIInChI=1S/C21H26ClN3O3/c1-24(2)19-11-20(26)17(10-18(19)22)21(27)23-12-16-14-25(8-9-28-16)13-15-6-4-3-5-7-15/h3-7,10-11,16,26H,8-9,12-14H2,1-2H3,(H,23,27)
InChIKeyYGCOCLJEXNAYMN-UHFFFAOYSA-N
XLogP2.74
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
CID 14881958
4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
CID 14881951
N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide
CID 126678400
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
4-amino-5-chloro-2-methoxy-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide (CID 14881990) is N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide is CN(C)c1cc(O)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1Cl.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide?
The InChIKey is YGCOCLJEXNAYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-24(2)19-11-20(26)17(10-18(19)22)21(27)23-12-16-14-25(8-9-28-16)13-15-6-4-3-5-7-15/h3-7,10-11,16,26H,8-9,12-14H2,1-2H3,(H,23,27).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide?
N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide has a molecular weight of 403.91 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide is sourced from PubChem (CID 14881990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).