3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C25H30Cl2N4O4 — CID 10302500

IUPAC3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H30Cl2N4O4/c1-24(2)12-16(13-25(3,4)31-24)28-21(32)14-6-9-20(35-5)19(10-14)29-23(34)30-22(33)17-8-7-15(26)11-18(17)27/h6-11,16,31H,12-13H2,1-5H3,(H,28,32)(H2,29,30,33,34)
InChIKeyPNLLXAGFZGFDPB-UHFFFAOYSA-N
MW521.45 g/mol
LogP5.00
Rot. Bonds5

About 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 10302500) has the molecular formula C25H30Cl2N4O4 and a molecular weight of 521.45 g/mol. Its IUPAC name is 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID10302500
Molecular FormulaC25H30Cl2N4O4
Molecular Weight521.45 g/mol
Exact Mass520.16
IUPAC Name3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H30Cl2N4O4/c1-24(2)12-16(13-25(3,4)31-24)28-21(32)14-6-9-20(35-5)19(10-14)29-23(34)30-22(33)17-8-7-15(26)11-18(17)27/h6-11,16,31H,12-13H2,1-5H3,(H,28,32)(H2,29,30,33,34)
InChIKeyPNLLXAGFZGFDPB-UHFFFAOYSA-N
XLogP5.00
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide 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

sodium N-(2,4-dichlorobenzoyl)-N'-[2-methoxy-5-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenyl]carbamimidate
CID 135681483
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 848313
2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110103
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
N'-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326882
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide
CID 108827773
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
3-chloro-4-[2-(1-hydroxyethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679606

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 10302500) is 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is COc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is PNLLXAGFZGFDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N4O4/c1-24(2)12-16(13-25(3,4)31-24)28-21(32)14-6-9-20(35-5)19(10-14)29-23(34)30-22(33)17-8-7-15(26)11-18(17)27/h6-11,16,31H,12-13H2,1-5H3,(H,28,32)(H2,29,30,33,34).
What are the key properties of 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 521.45 g/mol, XLogP of 5.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorobenzoyl)carbamoylamino]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 10302500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).