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

C14H21FN2O — CID 62509349

IUPACN-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H21FN2O/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)
InChIKeyIWXDQOVOINCJID-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.21
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide (PubChem CID 62509349) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
PubChem CID62509349
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H21FN2O/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)
InChIKeyIWXDQOVOINCJID-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
CID 55090844
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide (CID 62509349) is N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide is CCN(CC)CCNC(=O)c1cc(C)ccc1F.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide?
The InChIKey is IWXDQOVOINCJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/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 N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide?
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62509349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).