(2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate

C17H16ClFN2O3 — CID 170896293

IUPAC(2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate
SMILESCN(C)CC(=O)c1cccc(NC(=O)Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H16ClFN2O3/c1-21(2)10-15(22)11-4-3-5-13(8-11)20-17(23)24-16-7-6-12(19)9-14(16)18/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyNAZJKBHBYWEYIU-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.83
Rot. Bonds5

About (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate

(2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate (PubChem CID 170896293) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate
PubChem CID170896293
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name(2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate
SMILESCN(C)CC(=O)c1cccc(NC(=O)Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H16ClFN2O3/c1-21(2)10-15(22)11-4-3-5-13(8-11)20-17(23)24-16-7-6-12(19)9-14(16)18/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyNAZJKBHBYWEYIU-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate 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-chloro-4-fluorophenyl) N-(3-fluorophenyl)carbamate
CID 4287006
2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
CID 170896449
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
CID 170896491
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone
CID 126971234
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
N-(3-chloro-4-methoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826642
(2-chloro-4-fluorophenyl) butanoate
CID 151885359
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
CID 112977061
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8529481
2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate
CID 170860392

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate?
The IUPAC name of (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate (CID 170896293) is (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate.
What is the SMILES notation for (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate?
The canonical SMILES for (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate is CN(C)CC(=O)c1cccc(NC(=O)Oc2ccc(F)cc2Cl)c1.
What is the InChIKey of (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate?
The InChIKey is NAZJKBHBYWEYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-21(2)10-15(22)11-4-3-5-13(8-11)20-17(23)24-16-7-6-12(19)9-14(16)18/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate?
(2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate has a molecular weight of 350.78 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl) N-[3-[2-(dimethylamino)acetyl]phenyl]carbamate is sourced from PubChem (CID 170896293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).