2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide

C14H20ClN3O2 — CID 33007137

IUPAC2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
SMILESCC(C)[C@H](C)NC(=O)CNc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-8(2)9(3)18-13(19)7-17-10-4-5-11(14(16)20)12(15)6-10/h4-6,8-9,17H,7H2,1-3H3,(H2,16,20)(H,18,19)/t9-/m0/s1
InChIKeyXTKPHTZLBQEFHW-VIFPVBQESA-N
MW297.79 g/mol
LogP2.01
Rot. Bonds6

About 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide

2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide (PubChem CID 33007137) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
PubChem CID33007137
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
SMILESCC(C)[C@H](C)NC(=O)CNc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-8(2)9(3)18-13(19)7-17-10-4-5-11(14(16)20)12(15)6-10/h4-6,8-9,17H,7H2,1-3H3,(H2,16,20)(H,18,19)/t9-/m0/s1
InChIKeyXTKPHTZLBQEFHW-VIFPVBQESA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
4-(4-carbamoyl-3-chloroanilino)butanoic acid
CID 62945162
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 47077590
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
CID 104684164
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide (CID 33007137) is 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide is CC(C)[C@H](C)NC(=O)CNc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide?
The InChIKey is XTKPHTZLBQEFHW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-8(2)9(3)18-13(19)7-17-10-4-5-11(14(16)20)12(15)6-10/h4-6,8-9,17H,7H2,1-3H3,(H2,16,20)(H,18,19)/t9-/m0/s1.
What are the key properties of 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide?
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide has a molecular weight of 297.79 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 33007137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).