4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide

C17H17Cl2N3O2 — CID 17180593

IUPAC4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-10(2)20-16(23)11-6-8-12(9-7-11)21-17(24)22-14-5-3-4-13(18)15(14)19/h3-10H,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyXPBIEANOAAOELH-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.78
Rot. Bonds4

About 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide

4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide (PubChem CID 17180593) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
PubChem CID17180593
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-10(2)20-16(23)11-6-8-12(9-7-11)21-17(24)22-14-5-3-4-13(18)15(14)19/h3-10H,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyXPBIEANOAAOELH-UHFFFAOYSA-N
XLogP4.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid
CID 59150959
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
CID 100628080
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide (CID 17180593) is 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The InChIKey is XPBIEANOAAOELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-10(2)20-16(23)11-6-8-12(9-7-11)21-17(24)22-14-5-3-4-13(18)15(14)19/h3-10H,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide has a molecular weight of 366.25 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17180593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).