3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

C19H22ClN3O3 — CID 109053219

IUPAC3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)cc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-23(2)10-9-21-18(24)13-5-4-6-14(11-13)19(25)22-15-7-8-17(26-3)16(20)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyQNWAZTVGNFELDJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.89
Rot. Bonds7

About 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109053219) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID109053219
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)cc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-23(2)10-9-21-18(24)13-5-4-6-14(11-13)19(25)22-15-7-8-17(26-3)16(20)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyQNWAZTVGNFELDJ-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
CID 109083492
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167847
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (CID 109053219) is 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)cc1Cl.
What is the InChIKey of 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is QNWAZTVGNFELDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-23(2)10-9-21-18(24)13-5-4-6-14(11-13)19(25)22-15-7-8-17(26-3)16(20)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).