2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide

C14H22ClN3O — CID 54989235

IUPAC2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
SMILESCCNCc1c(Cl)cccc1N(CC(N)=O)C(C)C
InChIInChI=1S/C14H22ClN3O/c1-4-17-8-11-12(15)6-5-7-13(11)18(10(2)3)9-14(16)19/h5-7,10,17H,4,8-9H2,1-3H3,(H2,16,19)
InChIKeyDGZNKJDGFCHXIM-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.15
Rot. Bonds7

About 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide

2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide (PubChem CID 54989235) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
PubChem CID54989235
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
SMILESCCNCc1c(Cl)cccc1N(CC(N)=O)C(C)C
InChIInChI=1S/C14H22ClN3O/c1-4-17-8-11-12(15)6-5-7-13(11)18(10(2)3)9-14(16)19/h5-7,10,17H,4,8-9H2,1-3H3,(H2,16,19)
InChIKeyDGZNKJDGFCHXIM-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
CID 63072064
2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
CID 54989045
3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 54999469
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
CID 113358980
N-butan-2-yl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058596
3-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551760
3-chloro-2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 60893129
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349
2-(4-carbamothioyl-2-chloro-N-propan-2-ylanilino)acetamide
CID 63087470

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide (CID 54989235) is 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide is CCNCc1c(Cl)cccc1N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide?
The InChIKey is DGZNKJDGFCHXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-17-8-11-12(15)6-5-7-13(11)18(10(2)3)9-14(16)19/h5-7,10,17H,4,8-9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide?
2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide has a molecular weight of 283.80 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 54989235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).