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

C21H25ClN2O4 — CID 55872621

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)c1
InChIInChI=1S/C21H25ClN2O4/c1-4-24(5-2)20(25)14-28-19-11-10-16(13-18(19)22)23-21(26)15-8-7-9-17(12-15)27-6-3/h7-13H,4-6,14H2,1-3H3,(H,23,26)
InChIKeyUOUZIRPSFPEDSW-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.24
Rot. Bonds9

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

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide (PubChem CID 55872621) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
PubChem CID55872621
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)c1
InChIInChI=1S/C21H25ClN2O4/c1-4-24(5-2)20(25)14-28-19-11-10-16(13-18(19)22)23-21(26)15-8-7-9-17(12-15)27-6-3/h7-13H,4-6,14H2,1-3H3,(H,23,26)
InChIKeyUOUZIRPSFPEDSW-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide 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

3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 46423572
3-bromo-N-[2-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 46423639
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 38034009
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 86982965
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55619728

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide (CID 55872621) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)c1.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide?
The InChIKey is UOUZIRPSFPEDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-4-24(5-2)20(25)14-28-19-11-10-16(13-18(19)22)23-21(26)15-8-7-9-17(12-15)27-6-3/h7-13H,4-6,14H2,1-3H3,(H,23,26).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide has a molecular weight of 404.89 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 55872621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).