N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide

C18H19ClN6O2 — CID 154874910

IUPACN-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)NC(CNC(=O)CCl)c1ccc2ccccc2c1
InChIInChI=1S/C18H19ClN6O2/c1-12-22-23-24-25(12)11-18(27)21-16(10-20-17(26)9-19)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16H,9-11H2,1H3,(H,20,26)(H,21,27)
InChIKeyASIBHAXEIJPNRW-UHFFFAOYSA-N
MW386.84 g/mol
LogP1.35
Rot. Bonds7

About N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide

N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide (PubChem CID 154874910) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide
PubChem CID154874910
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC NameN-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)NC(CNC(=O)CCl)c1ccc2ccccc2c1
InChIInChI=1S/C18H19ClN6O2/c1-12-22-23-24-25(12)11-18(27)21-16(10-20-17(26)9-19)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16H,9-11H2,1H3,(H,20,26)(H,21,27)
InChIKeyASIBHAXEIJPNRW-UHFFFAOYSA-N
XLogP1.35
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 154875057
2-tert-butyl-N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]tetrazole-5-carboxamide
CID 154875030
N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
tert-butyl N-[2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
CID 75393204
tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
CID 97247580
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
tert-butyl N-[(2R)-2-naphthalen-2-yl-2-(3-pyridin-4-ylpropanoylamino)ethyl]carbamate
CID 97248440
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 154875331
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
2-(2,6-dichlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7899735

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide (CID 154874910) is N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide is Cc1nnnn1CC(=O)NC(CNC(=O)CCl)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide?
The InChIKey is ASIBHAXEIJPNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-12-22-23-24-25(12)11-18(27)21-16(10-20-17(26)9-19)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16H,9-11H2,1H3,(H,20,26)(H,21,27).
What are the key properties of N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide?
N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide has a molecular weight of 386.84 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]-1-naphthalen-2-ylethyl]-2-(5-methyltetrazol-1-yl)acetamide is sourced from PubChem (CID 154874910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).