4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

C19H23ClN4O2 — CID 31363572

IUPAC4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-24(2)17(15-5-3-4-6-16(15)20)12-22-18(25)14-9-7-13(8-10-14)11-23-19(21)26/h3-10,17H,11-12H2,1-2H3,(H,22,25)(H3,21,23,26)/t17-/m0/s1
InChIKeyBPBNCIDYJAGDHV-KRWDZBQOSA-N
MW374.87 g/mol
LogP2.54
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (PubChem CID 31363572) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
PubChem CID31363572
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-24(2)17(15-5-3-4-6-16(15)20)12-22-18(25)14-9-7-13(8-10-14)11-23-19(21)26/h3-10,17H,11-12H2,1-2H3,(H,22,25)(H3,21,23,26)/t17-/m0/s1
InChIKeyBPBNCIDYJAGDHV-KRWDZBQOSA-N
XLogP2.54
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 51981001
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
1-benzyl-3-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiourea
CID 8727651
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
4-bromo-N-[3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-oxopropyl]benzamide
CID 43003283
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 42945317
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (CID 31363572) is 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is CN(C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1Cl.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The InChIKey is BPBNCIDYJAGDHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-24(2)17(15-5-3-4-6-16(15)20)12-22-18(25)14-9-7-13(8-10-14)11-23-19(21)26/h3-10,17H,11-12H2,1-2H3,(H,22,25)(H3,21,23,26)/t17-/m0/s1.
What are the key properties of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 31363572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).