N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide

C14H14Cl2N2O2 — CID 8917918

IUPACN-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H14Cl2N2O2/c1-9(13-3-2-6-20-13)17-8-14(19)18-10-4-5-11(15)12(16)7-10/h2-7,9,17H,8H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyPWNHMJAMJSLNLX-VIFPVBQESA-N
MW313.18 g/mol
LogP3.88
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide (PubChem CID 8917918) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
PubChem CID8917918
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC NameN-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H14Cl2N2O2/c1-9(13-3-2-6-20-13)17-8-14(19)18-10-4-5-11(15)12(16)7-10/h2-7,9,17H,8H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyPWNHMJAMJSLNLX-VIFPVBQESA-N
XLogP3.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 8921583
N-(3-fluoro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919228
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920009
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919166
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922758
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918532

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide (CID 8917918) is N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The InChIKey is PWNHMJAMJSLNLX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-9(13-3-2-6-20-13)17-8-14(19)18-10-4-5-11(15)12(16)7-10/h2-7,9,17H,8H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide has a molecular weight of 313.18 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 8917918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).