3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

C18H20ClN3O2 — CID 30827387

IUPAC3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(C(N)=O)c1)c1ccccc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-22(2)16(14-8-3-4-9-15(14)19)11-21-18(24)13-7-5-6-12(10-13)17(20)23/h3-10,16H,11H2,1-2H3,(H2,20,23)(H,21,24)/t16-/m1/s1
InChIKeyMOPJNGVXRCKTJY-MRXNPFEDSA-N
MW345.83 g/mol
LogP2.47
Rot. Bonds6

About 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 30827387) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID30827387
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(C(N)=O)c1)c1ccccc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-22(2)16(14-8-3-4-9-15(14)19)11-21-18(24)13-7-5-6-12(10-13)17(20)23/h3-10,16H,11H2,1-2H3,(H2,20,23)(H,21,24)/t16-/m1/s1
InChIKeyMOPJNGVXRCKTJY-MRXNPFEDSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 46521821
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058
methyl 3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-5-nitrobenzoate
CID 46654579
4-chloro-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25488088
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (CID 30827387) is 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is CN(C)[C@H](CNC(=O)c1cccc(C(N)=O)c1)c1ccccc1Cl.
What is the InChIKey of 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is MOPJNGVXRCKTJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-22(2)16(14-8-3-4-9-15(14)19)11-21-18(24)13-7-5-6-12(10-13)17(20)23/h3-10,16H,11H2,1-2H3,(H2,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 30827387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).