4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide

C18H20BrN3O2 — CID 54811079

IUPAC4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrN3O2/c1-2-11-20-18(24)13-3-7-16(8-4-13)22-17(23)12-21-15-9-5-14(19)6-10-15/h3-10,21H,2,11-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyUVRIHFJLBBUCRB-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.64
Rot. Bonds7

About 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide

4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 54811079) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
PubChem CID54811079
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrN3O2/c1-2-11-20-18(24)13-3-7-16(8-4-13)22-17(23)12-21-15-9-5-14(19)6-10-15/h3-10,21H,2,11-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyUVRIHFJLBBUCRB-UHFFFAOYSA-N
XLogP3.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide (CID 54811079) is 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is UVRIHFJLBBUCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-2-11-20-18(24)13-3-7-16(8-4-13)22-17(23)12-21-15-9-5-14(19)6-10-15/h3-10,21H,2,11-12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide has a molecular weight of 390.28 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54811079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).