2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide

C14H21ClN2O — CID 142825813

IUPAC2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-17(5-2)9-8-16-14(18)12-10-11(3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyQJZAYXWWXQKONA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.72
Rot. Bonds6

About 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide

2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide (PubChem CID 142825813) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
PubChem CID142825813
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-17(5-2)9-8-16-14(18)12-10-11(3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyQJZAYXWWXQKONA-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 84575561
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
CID 12883877
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide (CID 142825813) is 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide is CCN(CC)CCNC(=O)c1cc(C)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide?
The InChIKey is QJZAYXWWXQKONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-17(5-2)9-8-16-14(18)12-10-11(3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide?
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide has a molecular weight of 268.79 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide is sourced from PubChem (CID 142825813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).