N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide

C17H19ClN2O — CID 143248637

IUPACN-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CN(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-13(21)19-11-14-4-3-5-15(10-14)12-20(2)17-8-6-16(18)7-9-17/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyLPKFUXSZDAVWEV-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.61
Rot. Bonds5

About N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide

N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide (PubChem CID 143248637) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide
PubChem CID143248637
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CN(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-13(21)19-11-14-4-3-5-15(10-14)12-20(2)17-8-6-16(18)7-9-17/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyLPKFUXSZDAVWEV-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
N-[[3-[[N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-chloroanilino]methyl]phenyl]methyl]acetamide
CID 11676994
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
N-[[3-[[3-(acetamidomethyl)phenyl]disulfanyl]phenyl]methyl]acetamide
CID 118256362
[3-(acetamidomethyl)phenyl]-methyltin
CID 59658577
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide (CID 143248637) is N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(CN(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide?
The InChIKey is LPKFUXSZDAVWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13(21)19-11-14-4-3-5-15(10-14)12-20(2)17-8-6-16(18)7-9-17/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide?
N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 143248637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).