2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide

C11H14ClFN2O — CID 6465941

IUPAC2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
SMILESCN(C)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-15(2)6-5-14-11(16)9-4-3-8(13)7-10(9)12/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyPELYRYLHCUPQMP-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.77
Rot. Bonds4

About 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide

2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide (PubChem CID 6465941) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
PubChem CID6465941
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
SMILESCN(C)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-15(2)6-5-14-11(16)9-4-3-8(13)7-10(9)12/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyPELYRYLHCUPQMP-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]-3-methylphenyl]-5-N-[2-(dimethylamino)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 118424178
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
2-chloro-N-[2-(dimethylamino)ethyl]-3,4-dihydroxybenzamide
CID 142493989
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141306049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide (CID 6465941) is 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide is CN(C)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide?
The InChIKey is PELYRYLHCUPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-15(2)6-5-14-11(16)9-4-3-8(13)7-10(9)12/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide?
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide has a molecular weight of 244.70 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 6465941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).