4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide

C19H22ClN3O2 — CID 113000124

IUPAC4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-3-23(4-2)17-11-9-16(10-12-17)22-18(24)13-21-19(25)14-5-7-15(20)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyCHISKVBQRLIOCZ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.55
Rot. Bonds7

About 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide

4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide (PubChem CID 113000124) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
PubChem CID113000124
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-3-23(4-2)17-11-9-16(10-12-17)22-18(24)13-21-19(25)14-5-7-15(20)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyCHISKVBQRLIOCZ-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405088
2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 109010434
2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide
CID 11841270
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662
4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
CID 123537340
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide (CID 113000124) is 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide is CCN(CC)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide?
The InChIKey is CHISKVBQRLIOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-23(4-2)17-11-9-16(10-12-17)22-18(24)13-21-19(25)14-5-7-15(20)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 113000124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).