2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide

C13H16ClN3O3 — CID 66429113

IUPAC2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC2CNCCO2)cc1Cl
InChIInChI=1S/C13H16ClN3O3/c14-11-5-8(1-2-10(11)13(15)19)17-12(18)6-9-7-16-3-4-20-9/h1-2,5,9,16H,3-4,6-7H2,(H2,15,19)(H,17,18)
InChIKeyAVCPKWDVQCJWKC-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.76
Rot. Bonds4

About 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide

2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide (PubChem CID 66429113) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
PubChem CID66429113
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC2CNCCO2)cc1Cl
InChIInChI=1S/C13H16ClN3O3/c14-11-5-8(1-2-10(11)13(15)19)17-12(18)6-9-7-16-3-4-20-9/h1-2,5,9,16H,3-4,6-7H2,(H2,15,19)(H,17,18)
InChIKeyAVCPKWDVQCJWKC-UHFFFAOYSA-N
XLogP0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
2-chloro-4-(morpholin-2-ylmethylamino)benzamide
CID 115324268
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119680387
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
(E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 115342291
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
CID 66434951
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
CID 66435503

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide?
The IUPAC name of 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide (CID 66429113) is 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide is NC(=O)c1ccc(NC(=O)CC2CNCCO2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide?
The InChIKey is AVCPKWDVQCJWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-11-5-8(1-2-10(11)13(15)19)17-12(18)6-9-7-16-3-4-20-9/h1-2,5,9,16H,3-4,6-7H2,(H2,15,19)(H,17,18).
What are the key properties of 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide?
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide has a molecular weight of 297.74 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 66429113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).