2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide

C20H22ClN3O2 — CID 166321692

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1)NCC1CCCc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c21-16-8-4-9-17(11-16)24-20(26)23-13-19(25)22-12-15-7-3-6-14-5-1-2-10-18(14)15/h1-2,4-5,8-11,15H,3,6-7,12-13H2,(H,22,25)(H2,23,24,26)
InChIKeyUAOHQOIZGYSICF-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.70
Rot. Bonds5

About 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide

2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (PubChem CID 166321692) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
PubChem CID166321692
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1)NCC1CCCc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c21-16-8-4-9-17(11-16)24-20(26)23-13-19(25)22-12-15-7-3-6-14-5-1-2-10-18(14)15/h1-2,4-5,8-11,15H,3,6-7,12-13H2,(H,22,25)(H2,23,24,26)
InChIKeyUAOHQOIZGYSICF-UHFFFAOYSA-N
XLogP3.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750917
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 142211410
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95326159

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (CID 166321692) is 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is O=C(CNC(=O)Nc1cccc(Cl)c1)NCC1CCCc2ccccc21.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The InChIKey is UAOHQOIZGYSICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-8-4-9-17(11-16)24-20(26)23-13-19(25)22-12-15-7-3-6-14-5-1-2-10-18(14)15/h1-2,4-5,8-11,15H,3,6-7,12-13H2,(H,22,25)(H2,23,24,26).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 166321692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).