1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea

C19H16Cl2N2O — CID 17181566

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea
SMILESCC(NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O/c1-12(15-10-9-14(20)11-17(15)21)22-19(24)23-18-8-4-6-13-5-2-3-7-16(13)18/h2-12H,1H3,(H2,22,23,24)
InChIKeyBNHMYEDJUWNBFA-UHFFFAOYSA-N
MW359.26 g/mol
LogP6.03
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea

1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea (PubChem CID 17181566) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea
PubChem CID17181566
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea
SMILESCC(NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O/c1-12(15-10-9-14(20)11-17(15)21)22-19(24)23-18-8-4-6-13-5-2-3-7-16(13)18/h2-12H,1H3,(H2,22,23,24)
InChIKeyBNHMYEDJUWNBFA-UHFFFAOYSA-N
XLogP6.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea
CID 60569568
[(2R)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7785320
3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61184371
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
(2R)-2-(2-acetamidophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2557949
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99820693

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea (CID 17181566) is 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea is CC(NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea?
The InChIKey is BNHMYEDJUWNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-12(15-10-9-14(20)11-17(15)21)22-19(24)23-18-8-4-6-13-5-2-3-7-16(13)18/h2-12H,1H3,(H2,22,23,24).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea?
1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea has a molecular weight of 359.26 g/mol, XLogP of 6.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 17181566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).