3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

C19H23ClN2O — CID 46470339

IUPAC3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14(2)22(3)13-17-8-5-4-7-16(17)12-21-19(23)15-9-6-10-18(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyHWDWLFZPVLROCF-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.11
Rot. Bonds6

About 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (PubChem CID 46470339) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
PubChem CID46470339
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14(2)22(3)13-17-8-5-4-7-16(17)12-21-19(23)15-9-6-10-18(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyHWDWLFZPVLROCF-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 46455660
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 55695089
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
CID 46456160
N-[3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55837627
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide
CID 46470151

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (CID 46470339) is 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is CC(C)N(C)Cc1ccccc1CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The InChIKey is HWDWLFZPVLROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14(2)22(3)13-17-8-5-4-7-16(17)12-21-19(23)15-9-6-10-18(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide has a molecular weight of 330.86 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46470339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).