N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide

C19H19ClF2N2O3 — CID 39171469

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C19H19ClF2N2O3/c1-3-24(4-2)18(25)11-27-17-8-6-13(10-14(17)20)23-19(26)12-5-7-15(21)16(22)9-12/h5-10H,3-4,11H2,1-2H3,(H,23,26)
InChIKeyAEEHDCZTRSVOPD-UHFFFAOYSA-N
MW396.82 g/mol
LogP4.12
Rot. Bonds7

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide (PubChem CID 39171469) has the molecular formula C19H19ClF2N2O3 and a molecular weight of 396.82 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
PubChem CID39171469
Molecular FormulaC19H19ClF2N2O3
Molecular Weight396.82 g/mol
Exact Mass396.11
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C19H19ClF2N2O3/c1-3-24(4-2)18(25)11-27-17-8-6-13(10-14(17)20)23-19(26)12-5-7-15(21)16(22)9-12/h5-10H,3-4,11H2,1-2H3,(H,23,26)
InChIKeyAEEHDCZTRSVOPD-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 46423572
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
3-bromo-N-[2-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 46423639
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide (CID 39171469) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide is CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide?
The InChIKey is AEEHDCZTRSVOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O3/c1-3-24(4-2)18(25)11-27-17-8-6-13(10-14(17)20)23-19(26)12-5-7-15(21)16(22)9-12/h5-10H,3-4,11H2,1-2H3,(H,23,26).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide has a molecular weight of 396.82 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 39171469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).