4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide

C16H18ClFN2OS — CID 156570424

IUPAC4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(C(N)CC(C)C(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C16H18ClFN2OS/c1-9(7-14(19)15-6-3-10(2)22-15)16(21)20-11-4-5-13(18)12(17)8-11/h3-6,8-9,14H,7,19H2,1-2H3,(H,20,21)
InChIKeyMVEXBIAFUJNLMN-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.51
Rot. Bonds5

About 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide

4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide (PubChem CID 156570424) has the molecular formula C16H18ClFN2OS and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide
PubChem CID156570424
Molecular FormulaC16H18ClFN2OS
Molecular Weight340.85 g/mol
Exact Mass340.08
IUPAC Name4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(C(N)CC(C)C(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C16H18ClFN2OS/c1-9(7-14(19)15-6-3-10(2)22-15)16(21)20-11-4-5-13(18)12(17)8-11/h3-6,8-9,14H,7,19H2,1-2H3,(H,20,21)
InChIKeyMVEXBIAFUJNLMN-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-amino-N-(3-chloro-4-fluorophenyl)-4-[5-(4-cyano-3-fluorophenyl)thiophen-2-yl]-2-methylbutanamide
CID 167306751
(2S,4R)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-[4-(4-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]butanamide
CID 156570204
(2R,4S)-N-(3-chloro-4-fluorophenyl)-2-methyl-4-[5-(2-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]pentanamide
CID 142419950
4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide
CID 156570202
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
(2S)-2-amino-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82961362
(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119263179
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
CID 92864164
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 2426812
ethyl 2-[(3-chloro-4-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537724
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide?
The IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide (CID 156570424) is 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide is Cc1ccc(C(N)CC(C)C(=O)Nc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide?
The InChIKey is MVEXBIAFUJNLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2OS/c1-9(7-14(19)15-6-3-10(2)22-15)16(21)20-11-4-5-13(18)12(17)8-11/h3-6,8-9,14H,7,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide?
4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide has a molecular weight of 340.85 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 156570424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).