ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate

C20H17Cl2NO3 — CID 102495715

IUPACethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
SMILESCCOC(=O)NC(c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17Cl2NO3/c1-2-26-20(25)23-19(15-9-8-13(21)11-16(15)22)18-14-6-4-3-5-12(14)7-10-17(18)24/h3-11,19,24H,2H2,1H3,(H,23,25)
InChIKeySEBIHGMUTVUNKV-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.69
Rot. Bonds4

About ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate

ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate (PubChem CID 102495715) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
PubChem CID102495715
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC Nameethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
SMILESCCOC(=O)NC(c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17Cl2NO3/c1-2-26-20(25)23-19(15-9-8-13(21)11-16(15)22)18-14-6-4-3-5-12(14)7-10-17(18)24/h3-11,19,24H,2H2,1H3,(H,23,25)
InChIKeySEBIHGMUTVUNKV-UHFFFAOYSA-N
XLogP5.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]pentanamide
CID 7432415
N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2281447
N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2897217
benzyl N-[(2-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102475859
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 156613239
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
1-[chloro-(2,4-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81430002
N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide
CID 102367056
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
methyl N-[(3-bromophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102512897

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate (CID 102495715) is ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate is CCOC(=O)NC(c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12.
What is the InChIKey of ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate?
The InChIKey is SEBIHGMUTVUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c1-2-26-20(25)23-19(15-9-8-13(21)11-16(15)22)18-14-6-4-3-5-12(14)7-10-17(18)24/h3-11,19,24H,2H2,1H3,(H,23,25).
What are the key properties of ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate?
ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate has a molecular weight of 390.27 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate is sourced from PubChem (CID 102495715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).