N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide

C14H14ClN3O3 — CID 51091961

IUPACN-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccoc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3/c15-11-1-3-12(4-2-11)18-13(19)8-17-14(20)16-7-10-5-6-21-9-10/h1-6,9H,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyBQLBWAIMBDQEDL-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.37
Rot. Bonds5

About N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide

N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide (PubChem CID 51091961) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide
PubChem CID51091961
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC NameN-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccoc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3/c15-11-1-3-12(4-2-11)18-13(19)8-17-14(20)16-7-10-5-6-21-9-10/h1-6,9H,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyBQLBWAIMBDQEDL-UHFFFAOYSA-N
XLogP2.37
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
CID 47039415
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
CID 47038823
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-[(4-chlorophenyl)carbamothioylamino]-N-phenylacetamide
CID 87893882
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
2-(benzylcarbamoylamino)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 46584862

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide (CID 51091961) is N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide is O=C(CNC(=O)NCc1ccoc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide?
The InChIKey is BQLBWAIMBDQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-11-1-3-12(4-2-11)18-13(19)8-17-14(20)16-7-10-5-6-21-9-10/h1-6,9H,7-8H2,(H,18,19)(H2,16,17,20).
What are the key properties of N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide?
N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide has a molecular weight of 307.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 51091961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).