4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide

C16H16Cl2N2O — CID 44568296

IUPAC4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide
SMILESCNCc1cc(C(N)=O)ccc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-20-9-13-8-12(16(19)21)4-3-11(13)6-10-2-5-14(17)15(18)7-10/h2-5,7-8,20H,6,9H2,1H3,(H2,19,21)
InChIKeyGYURBKTVOWBCTD-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.40
Rot. Bonds5

About 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide

4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide (PubChem CID 44568296) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide
PubChem CID44568296
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide
SMILESCNCc1cc(C(N)=O)ccc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-20-9-13-8-12(16(19)21)4-3-11(13)6-10-2-5-14(17)15(18)7-10/h2-5,7-8,20H,6,9H2,1H3,(H2,19,21)
InChIKeyGYURBKTVOWBCTD-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
3,4-Dichloro-N-(3,3-diphenyl-allyl)-benzamide
CID 44265913
N1-(2-(aminomethyl)-5-chlorobenzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 53320316
N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]naphthalene-2-carboxamide
CID 90644992
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9798438
(5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9928961
4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 11796211
6-(3-aminopropyl)-9-chlorobenzo[h]isoquinolin-1(2H)-one
CID 15982231
N-{1-[4-(3,4-Dichloro-benzyl)-piperidin-1-ylmethyl]-2-methyl-propyl}-4-methyl-benzamide
CID 22257689
N-[4-[4-(2-Acetylamino-ethyl)-piperidin-1-yl]-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
CID 22405753
(5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 44408856

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide (CID 44568296) is 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide is CNCc1cc(C(N)=O)ccc1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide?
The InChIKey is GYURBKTVOWBCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20-9-13-8-12(16(19)21)4-3-11(13)6-10-2-5-14(17)15(18)7-10/h2-5,7-8,20H,6,9H2,1H3,(H2,19,21).
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide?
4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide has a molecular weight of 323.22 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-3-(methylaminomethyl)benzamide is sourced from PubChem (CID 44568296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).