N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide

C14H19ClN2O2 — CID 103555460

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2cc(Cl)c(N)cc2C)CCC1
InChIInChI=1S/C14H19ClN2O2/c1-9-6-11(16)10(15)7-12(9)17-13(18)8-14(19-2)4-3-5-14/h6-7H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyJKVFVOYVXMFCCQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.13
Rot. Bonds4

About N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide

N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103555460) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103555460
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2cc(Cl)c(N)cc2C)CCC1
InChIInChI=1S/C14H19ClN2O2/c1-9-6-11(16)10(15)7-12(9)17-13(18)8-14(19-2)4-3-5-14/h6-7H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyJKVFVOYVXMFCCQ-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555420
3-[[2-(1-methoxycyclobutyl)acetyl]amino]-4-methylbenzoic acid
CID 103555485
4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
CID 103555498
N-(3-amino-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555368
N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522047
1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558404
N-(3-chloropyrazin-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558724
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
5-[[2-(1-methoxycyclobutyl)acetyl]amino]-2,3-dimethylbenzoic acid
CID 103555614
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 103520061
3-fluoro-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 103555628

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide (CID 103555460) is N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2cc(Cl)c(N)cc2C)CCC1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is JKVFVOYVXMFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-6-11(16)10(15)7-12(9)17-13(18)8-14(19-2)4-3-5-14/h6-7H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide?
N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103555460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).