N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide

C17H20ClNO2 — CID 10425220

IUPACN-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc2cccc(C(=O)N[C@H](CCl)C(C)C)c2c1
InChIInChI=1S/C17H20ClNO2/c1-11(2)16(10-18)19-17(20)14-6-4-5-12-7-8-13(21-3)9-15(12)14/h4-9,11,16H,10H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyLIEDMQKZACMRFJ-MRXNPFEDSA-N
MW305.81 g/mol
LogP3.84
Rot. Bonds5

About N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide

N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide (PubChem CID 10425220) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide
PubChem CID10425220
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc2cccc(C(=O)N[C@H](CCl)C(C)C)c2c1
InChIInChI=1S/C17H20ClNO2/c1-11(2)16(10-18)19-17(20)14-6-4-5-12-7-8-13(21-3)9-15(12)14/h4-9,11,16H,10H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyLIEDMQKZACMRFJ-MRXNPFEDSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide 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

N-(1-chloro-4-methylpentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 114177723
N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
CID 44541672
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535
N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 103750968
2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446
2-chloro-N-(1-chloro-3-methylbutan-2-yl)-4-methylbenzamide
CID 106863924
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
N-(1-chloro-3-methylbutan-2-yl)-5-fluoro-2-methylbenzamide
CID 114305601
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]naphthalene-1-carboxamide
CID 118984652
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide?
The IUPAC name of N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide (CID 10425220) is N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide is COc1ccc2cccc(C(=O)N[C@H](CCl)C(C)C)c2c1.
What is the InChIKey of N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide?
The InChIKey is LIEDMQKZACMRFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11(2)16(10-18)19-17(20)14-6-4-5-12-7-8-13(21-3)9-15(12)14/h4-9,11,16H,10H2,1-3H3,(H,19,20)/t16-/m1/s1.
What are the key properties of N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide?
N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 10425220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).