N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide

C14H20F2N2O — CID 54872580

IUPACN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)CNC(C)C
InChIInChI=1S/C14H20F2N2O/c1-4-18(14(19)8-17-10(2)3)9-11-5-6-12(15)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeySUUXKQRXICGEDR-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.31
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide

N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide (PubChem CID 54872580) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
PubChem CID54872580
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)CNC(C)C
InChIInChI=1S/C14H20F2N2O/c1-4-18(14(19)8-17-10(2)3)9-11-5-6-12(15)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeySUUXKQRXICGEDR-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
CID 79204676
2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 112801097
3-[(3,4-difluorophenyl)methyl-[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119208113
2,2,2-trifluoroethyl N-[(3,4-difluorophenyl)methyl]-N-ethylcarbamate
CID 61066669
3-[(3,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115593148
3-[(3,4-difluorophenyl)methyl-ethylamino]butanoic acid
CID 65060898
methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate
CID 95339526
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
4,5-dibromo-N-[(3,4-difluorophenyl)methyl]-N-ethylthiophene-2-carboxamide
CID 112725711
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide (CID 54872580) is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide is CCN(Cc1ccc(F)c(F)c1)C(=O)CNC(C)C.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide?
The InChIKey is SUUXKQRXICGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-18(14(19)8-17-10(2)3)9-11-5-6-12(15)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide?
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide has a molecular weight of 270.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54872580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).