2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide

C14H13Cl2N3O3 — CID 18101847

IUPAC2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)NCc1ccco1
InChIInChI=1S/C14H13Cl2N3O3/c15-11-4-3-9(6-12(11)16)19-14(21)18-8-13(20)17-7-10-2-1-5-22-10/h1-6H,7-8H2,(H,17,20)(H2,18,19,21)
InChIKeyDEPPOFGMPWAJPB-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.02
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide

2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 18101847) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID18101847
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)NCc1ccco1
InChIInChI=1S/C14H13Cl2N3O3/c15-11-4-3-9(6-12(11)16)19-14(21)18-8-13(20)17-7-10-2-1-5-22-10/h1-6H,7-8H2,(H,17,20)(H2,18,19,21)
InChIKeyDEPPOFGMPWAJPB-UHFFFAOYSA-N
XLogP3.02
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60598074
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide
CID 55751321
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
CID 60590963
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide
CID 49119992
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide (CID 18101847) is 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)NCc1ccco1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DEPPOFGMPWAJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c15-11-4-3-9(6-12(11)16)19-14(21)18-8-13(20)17-7-10-2-1-5-22-10/h1-6H,7-8H2,(H,17,20)(H2,18,19,21).
What are the key properties of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 342.18 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18101847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).