2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C19H19ClN4O3 — CID 33006842

IUPAC2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c20-16-9-13(6-7-15(16)18(21)26)22-10-17(25)23-14-3-1-2-11(8-14)19(27)24-12-4-5-12/h1-3,6-9,12,22H,4-5,10H2,(H2,21,26)(H,23,25)(H,24,27)
InChIKeyBCNUFWYHGCLHPA-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.38
Rot. Bonds7

About 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 33006842) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID33006842
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c20-16-9-13(6-7-15(16)18(21)26)22-10-17(25)23-14-3-1-2-11(8-14)19(27)24-12-4-5-12/h1-3,6-9,12,22H,4-5,10H2,(H2,21,26)(H,23,25)(H,24,27)
InChIKeyBCNUFWYHGCLHPA-UHFFFAOYSA-N
XLogP2.38
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
CID 52704961
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
5-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833251
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54833308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 33006842) is 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is NC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is BCNUFWYHGCLHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c20-16-9-13(6-7-15(16)18(21)26)22-10-17(25)23-14-3-1-2-11(8-14)19(27)24-12-4-5-12/h1-3,6-9,12,22H,4-5,10H2,(H2,21,26)(H,23,25)(H,24,27).
What are the key properties of 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 386.84 g/mol, XLogP of 2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 33006842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).