2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide

C18H23FN4O2 — CID 150131747

IUPAC2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2cc(F)c(C(N)=O)cc2N=C(N)C1
InChIInChI=1S/C18H23FN4O2/c1-3-5-23(6-4-2)18(25)12-7-11-8-14(19)13(17(21)24)10-15(11)22-16(20)9-12/h7-8,10H,3-6,9H2,1-2H3,(H2,20,22)(H2,21,24)
InChIKeyFBJZVTZURMHDCP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.35
Rot. Bonds6

About 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide

2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide (PubChem CID 150131747) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide.

Molecular Properties

Compound Name2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
PubChem CID150131747
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2cc(F)c(C(N)=O)cc2N=C(N)C1
InChIInChI=1S/C18H23FN4O2/c1-3-5-23(6-4-2)18(25)12-7-11-8-14(19)13(17(21)24)10-15(11)22-16(20)9-12/h7-8,10H,3-6,9H2,1-2H3,(H2,20,22)(H2,21,24)
InChIKeyFBJZVTZURMHDCP-UHFFFAOYSA-N
XLogP2.35
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-8-(4-hydroxyphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 51034180
2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 142430868
2-amino-8-N-methyl-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 139538112
2-amino-8-(4-ethylsulfanylphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 126712959
2-amino-N,N-dipropyl-8-(4-propylphenyl)-3H-1-benzazepine-4-carboxamide
CID 131968950
2-amino-8-(3-methylsulfinylphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 126696191
2-[4-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]acetic acid
CID 50943463
2-amino-8-N-phenyl-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 122510230
3-[4-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]propanoic acid
CID 90348231
2-amino-N-(3-aminopropyl)-N-propyl-8-(3-sulfanylphenyl)-3H-1-benzazepine-4-carboxamide
CID 155406701
2-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]ethylcarbamic acid;2,2,2-trifluoroacetic acid
CID 139570143
2-amino-8-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 138463931

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The IUPAC name of 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide (CID 150131747) is 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide.
What is the SMILES notation for 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The canonical SMILES for 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide is CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(N)=O)cc2N=C(N)C1.
What is the InChIKey of 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The InChIKey is FBJZVTZURMHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-5-23(6-4-2)18(25)12-7-11-8-14(19)13(17(21)24)10-15(11)22-16(20)9-12/h7-8,10H,3-6,9H2,1-2H3,(H2,20,22)(H2,21,24).
What are the key properties of 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide is sourced from PubChem (CID 150131747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).