5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide

C21H23ClN2O2 — CID 52666266

IUPAC5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C21H23ClN2O2/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(25)24-16-10-11-18(22)17(13-16)20(26)23-4/h5-13H,1-4H3,(H,23,26)(H,24,25)/b12-7+
InChIKeyOSCROZFVWZKKNA-KPKJPENVSA-N
MW370.88 g/mol
LogP4.65
Rot. Bonds4

About 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide

5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide (PubChem CID 52666266) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide
PubChem CID52666266
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C21H23ClN2O2/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(25)24-16-10-11-18(22)17(13-16)20(26)23-4/h5-13H,1-4H3,(H,23,26)(H,24,25)/b12-7+
InChIKeyOSCROZFVWZKKNA-KPKJPENVSA-N
XLogP4.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide 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-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
(E)-3-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2177723
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656

Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide?
The IUPAC name of 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide (CID 52666266) is 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide.
What is the SMILES notation for 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide?
The canonical SMILES for 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide is CNC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1Cl.
What is the InChIKey of 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide?
The InChIKey is OSCROZFVWZKKNA-KPKJPENVSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-21(2,3)15-8-5-14(6-9-15)7-12-19(25)24-16-10-11-18(22)17(13-16)20(26)23-4/h5-13H,1-4H3,(H,23,26)(H,24,25)/b12-7+.
What are the key properties of 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide?
5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide has a molecular weight of 370.88 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 52666266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).