3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide

C26H23Cl2N3O3 — CID 37344285

IUPAC3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C26H23Cl2N3O3/c1-31(15-16-2-4-17(5-3-16)24(32)29-23-10-11-23)26(34)18-6-8-22(9-7-18)30-25(33)19-12-20(27)14-21(28)13-19/h2-9,12-14,23H,10-11,15H2,1H3,(H,29,32)(H,30,33)
InChIKeyJTLVFEJVMUMCML-UHFFFAOYSA-N
MW496.39 g/mol
LogP5.41
Rot. Bonds7

About 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide

3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide (PubChem CID 37344285) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
PubChem CID37344285
Molecular FormulaC26H23Cl2N3O3
Molecular Weight496.39 g/mol
Exact Mass495.11
IUPAC Name3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C26H23Cl2N3O3/c1-31(15-16-2-4-17(5-3-16)24(32)29-23-10-11-23)26(34)18-6-8-22(9-7-18)30-25(33)19-12-20(27)14-21(28)13-19/h2-9,12-14,23H,10-11,15H2,1H3,(H,29,32)(H,30,33)
InChIKeyJTLVFEJVMUMCML-UHFFFAOYSA-N
XLogP5.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[4-(piperidin-4-ylcarbamoyl)phenyl]benzamide
CID 119386610
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
CID 39913342
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 30797400
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide (CID 37344285) is 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide?
The InChIKey is JTLVFEJVMUMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O3/c1-31(15-16-2-4-17(5-3-16)24(32)29-23-10-11-23)26(34)18-6-8-22(9-7-18)30-25(33)19-12-20(27)14-21(28)13-19/h2-9,12-14,23H,10-11,15H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide?
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide has a molecular weight of 496.39 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 37344285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).