2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide

C14H21ClN2O — CID 43086912

IUPAC2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCc1c(Cl)cccc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(2)8-16-14(18)11(4)17-13-7-5-6-12(15)10(13)3/h5-7,9,11,17H,8H2,1-4H3,(H,16,18)
InChIKeyBMDKZBMGAUBRKI-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.22
Rot. Bonds5

About 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide

2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 43086912) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
PubChem CID43086912
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCc1c(Cl)cccc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(2)8-16-14(18)11(4)17-13-7-5-6-12(15)10(13)3/h5-7,9,11,17H,8H2,1-4H3,(H,16,18)
InChIKeyBMDKZBMGAUBRKI-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methylanilino)-N-prop-2-ynylpropanamide
CID 43113423
2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113422
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)propanamide
CID 43088669
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334
2-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 24519336
2-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
methyl 3-(3-chloro-2-methylanilino)butanoate
CID 43536622
2-(2-chloro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 114252029

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide (CID 43086912) is 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide is Cc1c(Cl)cccc1NC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is BMDKZBMGAUBRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)8-16-14(18)11(4)17-13-7-5-6-12(15)10(13)3/h5-7,9,11,17H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide?
2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 268.79 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43086912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).